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Molecule
Flam
CAS: 53-86-1 · C19H16ClNO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 53-86-1
- Molecular Formula
- C19H16ClNO4
- Molecular Mass
- 357.79 g/mol
Identifiers
CAS Registry Number
53-86-1
SMILES
COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1
InChI Key
CGIGDMFJXJATDK-UHFFFAOYSA-N
InChI
InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
Names and Synonyms
- Flam Synonym
- Globa Synonym
- Indomethacin Synonym
- 1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl- Synonym
- Indole-3-acetic acid, 1-(p-chlorobenzoyl)-5-methoxy-2-methyl- Synonym
- 1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid Synonym
- Amuno Synonym
- 1-(p-Chlorobenzoyl)-5-methoxy-2-methylindole-3-acetic acid Synonym
- 1-(p-Chlorobenzoyl)-2-methyl-5-methoxyindole-3-acetic acid Synonym
- α-[1-(p-Chlorobenzoyl)-2-methyl-5-methoxy-3-indolyl]acetic acid Synonym
- Indocid Synonym
- Indocin Synonym
- Indometacin Synonym
- Indomethacin Synonym
- Indomethacine Synonym
- Metindol Synonym
- N-(p-Chlorobenzoyl)-2-methyl-5-methoxy-3-indolylacetic acid Synonym
- 1-(p-Chlorobenzoyl)-5-methoxy-2-methyl-3-indolylacetic acid Synonym
- Artrinovo Synonym
- Artrivia Synonym
- Confortid Synonym
- Idomethine Synonym
- Inacid Synonym
- Indomed Synonym
- Indomee Synonym
- Infrocin Synonym
- Mezolin Synonym
- Methazine Synonym
- Indacin Synonym
- 1-(4-Chlorobenzoyl)-5-methoxy-2-methylindole-3-acetic acid Synonym
- Indomecol Synonym
- Metacen Synonym
- Metartril Synonym
- Dolovin Synonym
- Indo-Rectolmin Synonym
- Reumacide Synonym
- Sadoreum Synonym
- 1-(4-Chlorobenzoyl)-2-methyl-5-methoxyindole-3-acetic acid Synonym
- Indometacine Synonym
- 1-(p-Chlorobenzoyl)-2-methyl-5-methoxy-3-indolylacetic acid Synonym
- Indren Synonym
- Inteban Synonym
- Chrono-Indocid 75 Synonym
- Dolcidium PL Synonym
- Bonidon Gel Synonym
- Imbrilon Synonym
- Indomod Synonym
- Indo-Phlogont Synonym
- Indo-Tablinen Synonym
- Dolcidium Synonym
- Bonidin Synonym
- Mobilan Synonym
- Indomethine Synonym
- Inflazon Synonym
- Elmetacin Synonym
- Indoxen Synonym
- Vonum Synonym
- Tannex Synonym
- Durametacin Synonym
- Indoptic Synonym
- Argun Synonym
- Mikametan Synonym
- Catlep Synonym
- Indoptol Synonym
- Chrono-Indicid Synonym
- Lausit Synonym
- Rheumacin LA Synonym
- Inteban SP Synonym
- Chibro-Amuno Synonym
- Artracin Synonym
- Indorektal Synonym
- Indocid (pharmaceutical) Synonym
- Innamit Synonym
- Indonol Synonym
- [1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetic acid Synonym
- Vital Vitacid Synonym
- IndoRich Synonym
- NSC 77541 Synonym
- Indocollyre Synonym
- Endol Synonym
- Microcid Synonym
- Indocine Synonym
- Aconip Synonym
- 2-[1-(4-Chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid Synonym
- 2-[1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetic acid Synonym
- IMC Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 357.79 g/mol | CAS Common Chemistry |
| 357.793 g/mol | RDKit | |
| Density | 1.38 g/cm³ | CAS Common Chemistry |
| 1.38 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | O=C(O)CC=1C=2C=C(OC)C=CC2N(C(=O)C3=CC=C(Cl)C=C3)C1C | CAS Common Chemistry |
| InChI | InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23) | CAS Common Chemistry |
| InChI Key | InChIKey=CGIGDMFJXJATDK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 158 °C | CAS Common Chemistry |
| Name | Indomethacin | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| 3 | RDKit | |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 68.53 Ų | RDKit |
| 66.61 Ų | chempirical lib | |
| LogP | 3.9273200000000026 | RDKit |
| 3.9273 | RDKit | |
| Molar Refractivity | 95.74730000000002 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1579 | RDKit |
| 0.16 | chempirical lib | |
| Exact Mass | 357.07678567199997 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 357.79 g/mol; density = 1.380 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C19H16ClNO4.
