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Molecule
N-(5-Chloro-2-Methylphenyl)-3-Hydroxy-2-Naphthalenecarboxamide
CAS: 135-63-7 · C18H14ClNO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 135-63-7
- Molecular Formula
- C18H14ClNO2
- Molecular Mass
- 311.77 g/mol
Identifiers
CAS Registry Number
135-63-7
SMILES
Cc1ccc(Cl)cc1N=C(O)c1cc2ccccc2cc1O
InChI Key
XZOACPDZZYNJER-UHFFFAOYSA-N
InChI
InChI=1S/C18H14ClNO2/c1-11-6-7-14(19)10-16(11)20-18(22)15-8-12-4-2-3-5-13(12)9-17(15)21/h2-10,21H,1H3,(H,20,22)
Names and Synonyms
- N-(5-Chloro-2-Methylphenyl)-3-Hydroxy-2-Naphthalenecarboxamide Synonym
- Naphtanilide KB Synonym
- Naphtazol C Synonym
- Naphthol AS-KB Synonym
- 5′-Chloro-2-hydroxy-2′-methyl-3-naphthanilide Synonym
- 2-Hydroxy-3-naphthoylamino-2-methyl-5-chlorobenzene Synonym
- Azoic Coupling Component 21 Synonym
- 2-Naphthalenecarboxamide, N-(5-chloro-2-methylphenyl)-3-hydroxy- Synonym
- 2-Naphtho-o-toluidide, 5′-chloro-3-hydroxy- Synonym
- N-(5-Chloro-2-methylphenyl)-3-hydroxy-2-naphthalenecarboxamide Synonym
- C.I. 37526 Synonym
- Acco Naf-Sol AS-KB Synonym
- Acco Naphthol AS-KB Synonym
- Amanil Naphthol AS-KB Synonym
- 5′-Chloro-3-hydroxy-2-naphtho-o-toluidide Synonym
- C.I. Azoic Coupling Component 21 Synonym
- Hiltonaphthol AS-KB Synonym
- NSC 37187 Synonym
- Naftol AS-KB Synonym
- N-(2′-Methyl-5′-chlorophenyl)-3-hydroxy-2-naphthalenecarboxamide Synonym
- N-(2-Methyl-5-chlorophenyl)-3-hydroxy-2-naphthamide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 311.77 g/mol | CAS Common Chemistry |
| 311.7680000000001 g/mol | RDKit | |
| 311.768 g/mol | RDKit | |
| 311.765 g/mol | chempirical lib | |
| Canonical SMILES | O=C(NC1=CC(Cl)=CC=C1C)C2=CC=3C=CC=CC3C=C2O | CAS Common Chemistry |
| InChI | InChI=1S/C18H14ClNO2/c1-11-6-7-14(19)10-16(11)20-18(22)15-8-12-4-2-3-5-13(12)9-17(15)21/h2-10,21H,1H3,(H,20,22) | CAS Common Chemistry |
| InChI Key | InChIKey=XZOACPDZZYNJER-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-(5-Chloro-2-methylphenyl)-3-hydroxy-2-naphthalenecarboxamide | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 52.82000000000001 Ų | RDKit |
| 52.82 Ų | RDKit | |
| LogP | 5.143520000000004 | RDKit |
| 5.1435 | RDKit | |
| Molar Refractivity | 90.62760000000004 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0556 | RDKit |
| 0.06 | chempirical lib | |
| Exact Mass | 311.07130636799997 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| 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.
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MW = 311.77 g/mol. Edit any field — others recompute live.
