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N-(4-Chloro-2,5-Dimethoxyphenyl)-3-Hydroxy-2-Naphthalenecarboxamide
CAS: 4273-92-1 | C19H16ClNO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4273-92-1
Molecular Formula:
C19H16ClNO4
Molecular Mass:
357.79 g/mol
Names and Synonyms:
N-(4-Chloro-2,5-Dimethoxyphenyl)-3-Hydroxy-2-Naphthalenecarboxamide
2-Naphthalenecarboxamide, N-(4-chloro-2,5-dimethoxyphenyl)-3-hydroxy-
2-Naphthanilide, 4′-chloro-3-hydroxy-2′,5′-dimethoxy-
N-(4-Chloro-2,5-dimethoxyphenyl)-3-hydroxy-2-naphthalenecarboxamide
C.I. 37555
C.I. Azoic Coupling Component 23
Naphtanilide LC
Naphtazol LC
Naphtol AS-LC
Naphtol AS-LCLL
Sanatol LC
Naphthol AS-LC
2-Hydroxynaphthalene-3-carboxylic acid-2′,5′-dimethoxy-4′-chlorophenylamide
2-Hydroxy-3-naphthoylamino-2′,5′-dimethoxy-4-chloroanilide
Naphthol LC
NSC 50688
NSC 73118
Dycosthol AS-LC
Kiwa Grounder LC
Anarthol AS-LC
Conazoic BC
Naftol AS-LC
N-(2′,5′-Dimethoxy-4′-chlorophenyl)-3-hydroxy-2-naphthalenecarboxamide
N-(4-Chloro-2,5-dimethoxyphenyl)-3-hydroxy-2-naphthamide
Identifiers:
SMILES:
COc1cc(N=C(O)c2cc3ccccc3cc2O)c(OC)cc1Cl
InChI:
InChI=1S/C19H16ClNO4/c1-24-17-10-15(18(25-2)9-14(17)20)21-19(23)13-7-11-5-3-4-6-12(11)8-16(13)22/h3-10,22H,1-2H3,(H,21,23)
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 | 357.79 g/mol | CAS Common Chemistry |
| 357.7930000000001 g/mol | RDKit | |
| 357.07678567199997 g/mol | RDKit | |
| Canonical SMILES | O=C(NC1=CC(OC)=C(Cl)C=C1OC)C2=CC=3C=CC=CC3C=C2O | CAS Common Chemistry |
| InChI | InChI=1S/C19H16ClNO4/c1-24-17-10-15(18(25-2)9-14(17)20)21-19(23)13-7-11-5-3-4-6-12(11)8-16(13)22/h3-10,22H,1-2H3,(H,21,23) | CAS Common Chemistry |
| InChI Key | InChIKey=QIHKTBRNOLQDGQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-(4-Chloro-2,5-dimethoxyphenyl)-3-hydroxy-2-naphthalenecarboxamide | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 71.28 Ų | RDKit |
| LogP | 4.852300000000003 | RDKit |
| Molar Refractivity | 98.99460000000005 | RDKit |
