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Molecule
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
Identifiers
CAS Registry Number
92-72-8
SMILES
COc1cc(OC)c(N=C(O)c2cc3ccccc3cc2O)cc1Cl
InChI Key
XDWATWCCUTYUDE-UHFFFAOYSA-N
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)
Names and Synonyms
- N-(5-Chloro-2,4-Dimethoxyphenyl)-3-Hydroxy-2-Naphthalenecarboxamide Synonym
- 2-Naphthalenecarboxamide, N-(5-chloro-2,4-dimethoxyphenyl)-3-hydroxy- Synonym
- N-(5-Chloro-2,4-dimethoxyphenyl)-3-hydroxy-2-naphthalenecarboxamide Synonym
- C.I. 37550 Synonym
- Acco Naf-Sol AS-ITR Synonym
- Acco Naphthol AS-ITR Synonym
- Acna Naphthol SS Synonym
- Amanil Naphthol AS-ITR Synonym
- Azoground ITR Synonym
- Azotol O Synonym
- 5′-Chloro-3-hydroxy-2′,4′-dimethoxy-2-naphthanilide Synonym
- C.I. Azoic Coupling Component 12 Synonym
- Daito Grounder ITR Synonym
- Hiltonaphthol AS-ITR Synonym
- Naphtanilide ITR Synonym
- Naphtazol STR Synonym
- Naphthoide ITR Synonym
- Naphtoelan JTR Synonym
- Naphtol AS-ITR Synonym
- Naphtol AS-ITRLL Synonym
- Sanatol ITR Synonym
- Solunaptol ITR Synonym
- Ultrazol IX-ITR Synonym
- Naphthol AS-ITR Synonym
- 1-(2′,3′-Hydroxynaphthoylamino)-2,4-dimethoxy-5-chlorobenzene Synonym
- 2-Hydroxy-N-(2,4-dimethoxy-5-chlorophenyl)-3-naphthamide Synonym
- 2-Hydroxy-3-naphthalenecarboxylic acid-2′,4′-dimethoxy-5′-chlorophenylamide Synonym
- 5′-Chloro-2-hydroxy-2′,4′-dimethoxy-3-naphthanilide Synonym
- Naphthol ITR Synonym
- Azoic Coupling Component 12 Synonym
- Kiwa Grounder ITR Synonym
- NSC 50687 Synonym
- Napthol ASITR Synonym
- Scarlet G Base Synonym
- Naftol AS-ITR Synonym
- Anarthol AS-ITR Synonym
- Grounder ITR Synonym
- N-(2,4-Dimethoxy-5-chlorophenyl)-3-hydroxy-2-naphthamide Synonym
- 2-Naphthanilide, 5′-chloro-3-hydroxy-2′,4′-dimethoxy- Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 357.79 g/mol | CAS Common Chemistry |
| 357.7930000000001 g/mol | RDKit | |
| 357.793 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 |
| 4.8523 | RDKit | |
| Molar Refractivity | 98.99460000000005 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1053 | RDKit |
| 0.11 | chempirical lib | |
| Exact Mass | 357.07678567199997 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
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100
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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.
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MW = 357.79 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C19H16ClNO4.
