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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
Names and Synonyms:
N-(5-Chloro-2-Methylphenyl)-3-Hydroxy-2-Naphthalenecarboxamide
Naphtanilide KB
Naphtazol C
Naphthol AS-KB
5′-Chloro-2-hydroxy-2′-methyl-3-naphthanilide
2-Hydroxy-3-naphthoylamino-2-methyl-5-chlorobenzene
Azoic Coupling Component 21
2-Naphthalenecarboxamide, N-(5-chloro-2-methylphenyl)-3-hydroxy-
2-Naphtho-o-toluidide, 5′-chloro-3-hydroxy-
N-(5-Chloro-2-methylphenyl)-3-hydroxy-2-naphthalenecarboxamide
C.I. 37526
Acco Naf-Sol AS-KB
Acco Naphthol AS-KB
Amanil Naphthol AS-KB
5′-Chloro-3-hydroxy-2-naphtho-o-toluidide
C.I. Azoic Coupling Component 21
Hiltonaphthol AS-KB
NSC 37187
Naftol AS-KB
N-(2′-Methyl-5′-chlorophenyl)-3-hydroxy-2-naphthalenecarboxamide
N-(2-Methyl-5-chlorophenyl)-3-hydroxy-2-naphthamide
Identifiers:
SMILES:
Cc1ccc(Cl)cc1N=C(O)c1cc2ccccc2cc1O
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)
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
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8
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5
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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 |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 311.77 g/mol | CAS Common Chemistry |
| 311.7680000000001 g/mol | RDKit | |
| 311.07130636799997 g/mol | RDKit | |
| 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 |
| LogP | 5.143520000000004 | RDKit |
| Molar Refractivity | 90.62760000000004 | RDKit |
