Back to Search
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
Names and Synonyms:
N-(5-Chloro-2-Methoxyphenyl)-3-Hydroxy-2-Naphthalenecarboxamide
2-Naphthalenecarboxamide, N-(5-chloro-2-methoxyphenyl)-3-hydroxy-
2-Naphth-o-anisidide, 5′-chloro-3-hydroxy-
N-(5-Chloro-2-methoxyphenyl)-3-hydroxy-2-naphthalenecarboxamide
C.I. 37531
Acna Naphthol CA
Amanil Naphthol AS-EL
5′-Chloro-3-hydroxy-2-naphth-o-anisidide
Cibanaphthol RCA
C.I. Azoic Coupling Component 41
C.I. Azoic Coupling Component 34
Hiltonaphthol AS-EL
Naphtanilide EL
Naphtazol EL
Naphthol AS-CA
Naphthol AS-CL
Naphthol AS-EL
Naphthol NEL
Naphthol AS-RC Supra
Naphtol AS-CA
Naphtol AS-CALL
Naphtol AS-RC
Azotol KhA
5′-Chloro-2-hydroxy-2′-methoxy-3-naphthanilide
Naphthol CA
Azoic Coupling Component 34
NSC 50685
Dycosthol AS-CA
Naftol AS-CL
Kiwa Grounder CA
Napthol ASCL/ASCA
Anarthol AS-CL
Naphthol AC-CA
N-(5-Chloro-2-methoxyphenyl)-3-hydroxy-2-naphthamide
N-(5-Chloro-2-methoxyphenyl)-3-hydroxy-2-naphthalene carboxyamide
Identifiers:
SMILES:
COc1ccc(Cl)cc1N=C(O)c1cc2ccccc2cc1O
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)
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 327.77 g/mol | CAS Common Chemistry |
| 327.76700000000005 g/mol | RDKit | |
| 327.06622098799994 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 92.44260000000003 | RDKit |
