Back to Search
Molecule
N-(5-Chloro-2-Methoxyphenyl)-3-Hydroxy-2-Naphthalenecarboxamide
CAS: 137-52-0 · C18H14ClNO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 137-52-0
- Molecular Formula
- C18H14ClNO3
- Molecular Mass
- 327.77 g/mol
Identifiers
CAS Registry Number
137-52-0
SMILES
COc1ccc(Cl)cc1N=C(O)c1cc2ccccc2cc1O
InChI Key
WWXPGBMLOCYWLD-UHFFFAOYSA-N
InChI
InChI=1S/C18H14ClNO3/c1-23-17-7-6-13(19)10-15(17)20-18(22)14-8-11-4-2-3-5-12(11)9-16(14)21/h2-10,21H,1H3,(H,20,22)
Names and Synonyms
- N-(5-Chloro-2-Methoxyphenyl)-3-Hydroxy-2-Naphthalenecarboxamide Systematic Name
- 2-Naphthalenecarboxamide, N-(5-chloro-2-methoxyphenyl)-3-hydroxy- Synonym
- 2-Naphth-o-anisidide, 5′-chloro-3-hydroxy- Synonym
- N-(5-Chloro-2-methoxyphenyl)-3-hydroxy-2-naphthalenecarboxamide Synonym
- C.I. 37531 Synonym
- Acna Naphthol CA Synonym
- Amanil Naphthol AS-EL Synonym
- 5′-Chloro-3-hydroxy-2-naphth-o-anisidide Synonym
- Cibanaphthol RCA Synonym
- C.I. Azoic Coupling Component 41 Synonym
- C.I. Azoic Coupling Component 34 Synonym
- Hiltonaphthol AS-EL Synonym
- Naphtanilide EL Synonym
- Naphtazol EL Synonym
- Naphthol AS-CA Synonym
- Naphthol AS-CL Synonym
- Naphthol AS-EL Synonym
- Naphthol NEL Synonym
- Naphthol AS-RC Supra Synonym
- Naphtol AS-CA Synonym
- Naphtol AS-CALL Synonym
- Naphtol AS-RC Synonym
- Azotol KhA Synonym
- 5′-Chloro-2-hydroxy-2′-methoxy-3-naphthanilide Synonym
- Naphthol CA Synonym
- Azoic Coupling Component 34 Synonym
- NSC 50685 Synonym
- Dycosthol AS-CA Synonym
- Naftol AS-CL Synonym
- Kiwa Grounder CA Synonym
- Napthol ASCL/ASCA Synonym
- Anarthol AS-CL Synonym
- Naphthol AC-CA Synonym
- N-(5-Chloro-2-methoxyphenyl)-3-hydroxy-2-naphthamide Synonym
- N-(5-Chloro-2-methoxyphenyl)-3-hydroxy-2-naphthalene carboxyamide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 327.77 g/mol | CAS Common Chemistry |
| 327.76700000000005 g/mol | RDKit | |
| 327.767 g/mol | RDKit | |
| 327.764 g/mol | chempirical lib | |
| Canonical SMILES | O=C(NC1=CC(Cl)=CC=C1OC)C2=CC=3C=CC=CC3C=C2O | CAS Common Chemistry |
| InChI | InChI=1S/C18H14ClNO3/c1-23-17-7-6-13(19)10-15(17)20-18(22)14-8-11-4-2-3-5-12(11)9-16(14)21/h2-10,21H,1H3,(H,20,22) | CAS Common Chemistry |
| InChI Key | InChIKey=WWXPGBMLOCYWLD-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-(5-Chloro-2-methoxyphenyl)-3-hydroxy-2-naphthalenecarboxamide | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 62.05 Ų | RDKit |
| LogP | 4.843700000000004 | RDKit |
| 4.8437 | RDKit | |
| Molar Refractivity | 92.44260000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0556 | RDKit |
| 0.06 | chempirical lib | |
| Exact Mass | 327.06622098799994 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
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.
External Resources
Convert
Quick conversion
MW = 327.77 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C18H14ClNO3.
