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N-(5-Chloro-2,4-Dimethoxyphenyl)-3-Hydroxy-2-Naphthalenecarboxamide
CAS: 92-72-8 | C19H16ClNO4
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
92-72-8
Molecular Formula:
C19H16ClNO4
Molecular Mass:
357.79 g/mol
Names and Synonyms:
N-(5-Chloro-2,4-Dimethoxyphenyl)-3-Hydroxy-2-Naphthalenecarboxamide
2-Naphthalenecarboxamide, N-(5-chloro-2,4-dimethoxyphenyl)-3-hydroxy-
N-(5-Chloro-2,4-dimethoxyphenyl)-3-hydroxy-2-naphthalenecarboxamide
C.I. 37550
Acco Naf-Sol AS-ITR
Acco Naphthol AS-ITR
Acna Naphthol SS
Amanil Naphthol AS-ITR
Azoground ITR
Azotol O
5′-Chloro-3-hydroxy-2′,4′-dimethoxy-2-naphthanilide
C.I. Azoic Coupling Component 12
Daito Grounder ITR
Hiltonaphthol AS-ITR
Naphtanilide ITR
Naphtazol STR
Naphthoide ITR
Naphtoelan JTR
Naphtol AS-ITR
Naphtol AS-ITRLL
Sanatol ITR
Solunaptol ITR
Ultrazol IX-ITR
Naphthol AS-ITR
1-(2′,3′-Hydroxynaphthoylamino)-2,4-dimethoxy-5-chlorobenzene
2-Hydroxy-N-(2,4-dimethoxy-5-chlorophenyl)-3-naphthamide
2-Hydroxy-3-naphthalenecarboxylic acid-2′,4′-dimethoxy-5′-chlorophenylamide
5′-Chloro-2-hydroxy-2′,4′-dimethoxy-3-naphthanilide
Naphthol ITR
Azoic Coupling Component 12
Kiwa Grounder ITR
NSC 50687
Napthol ASITR
Scarlet G Base
Naftol AS-ITR
Anarthol AS-ITR
Grounder ITR
N-(2,4-Dimethoxy-5-chlorophenyl)-3-hydroxy-2-naphthamide
2-Naphthanilide, 5′-chloro-3-hydroxy-2′,4′-dimethoxy-
Identifiers:
SMILES:
COc1cc(OC)c(N=C(O)c2cc3ccccc3cc2O)cc1Cl
InChI:
InChI=1S/C19H16ClNO4/c1-24-17-10-18(25-2)15(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(Cl)=C(OC)C=C1OC)C2=CC=3C=CC=CC3C=C2O | CAS Common Chemistry |
| InChI | InChI=1S/C19H16ClNO4/c1-24-17-10-18(25-2)15(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=XDWATWCCUTYUDE-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-(5-Chloro-2,4-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 | 4.852300000000004 | RDKit |
| Molar Refractivity | 98.99460000000005 | RDKit |
