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Molecule
Mefenamic Acid
CAS: 61-68-7 · C15H15NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 61-68-7
- Molecular Formula
- C15H15NO2
- Molecular Mass
- 241.29 g/mol
Identifiers
CAS Registry Number
61-68-7
SMILES
Cc1cccc(Nc2ccccc2C(=O)O)c1C
InChI Key
HYYBABOKPJLUIN-UHFFFAOYSA-N
InChI
InChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)
Names and Synonyms
- Mefenamic Acid Common Name
- Benzoic acid, 2-[(2,3-dimethylphenyl)amino]- Synonym
- Anthranilic acid, N-2,3-xylyl- Synonym
- 2-[(2,3-Dimethylphenyl)amino]benzoic acid Synonym
- C.I. 473 Synonym
- INF 3355 Synonym
- N-(2,3-Dimethylphenyl)anthranilic acid Synonym
- Mefenamic acid Synonym
- Mephenamic acid Synonym
- Ponstan Synonym
- N-(2,3-Xylyl)-2-aminobenzoic acid Synonym
- N-(2,3-Xylyl)anthranilic acid Synonym
- Coslan Synonym
- Lysalgo Synonym
- Parkemed Synonym
- Ponstel Synonym
- Ponstil Synonym
- Ponstyl Synonym
- Pontal Synonym
- Tanston Synonym
- Vialidon Synonym
- Mefacit Synonym
- 2′,3′-Dimethyl-N-phenylanthranilic acid Synonym
- Bonabol Synonym
- Ponalar Synonym
- Namphen Synonym
- In-M Synonym
- Mefenacid Synonym
- Baphameritin M Synonym
- Bafameritin M Synonym
- CN 35355 Synonym
- NSC 94437 Synonym
- 2-(2,3-Dimethylanilino)benzoic acid Synonym
- Relafan Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 241.29 g/mol | CAS Common Chemistry |
| Canonical SMILES | O=C(O)C=1C=CC=CC1NC2=CC=CC(=C2C)C | CAS Common Chemistry |
| InChI | InChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18) | CAS Common Chemistry |
| InChI Key | InChIKey=HYYBABOKPJLUIN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 230-231 °C | CAS Common Chemistry |
| Name | Mefenamic acid | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 49.33 Ų | RDKit |
| LogP | 3.7452400000000017 | RDKit |
| 3.7452 | RDKit | |
| Molar Refractivity | 72.60000000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1333 | RDKit |
| 0.13 | chempirical lib | |
| Exact Mass | 241.11027872 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
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5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 241.29 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C15H15NO2.
