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Molecule
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
Identifiers
CAS Registry Number
4273-92-1
SMILES
COc1cc(N=C(O)c2cc3ccccc3cc2O)c(OC)cc1Cl
InChI Key
QIHKTBRNOLQDGQ-UHFFFAOYSA-N
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)
Names and Synonyms
- N-(4-Chloro-2,5-Dimethoxyphenyl)-3-Hydroxy-2-Naphthalenecarboxamide Synonym
- 2-Naphthalenecarboxamide, N-(4-chloro-2,5-dimethoxyphenyl)-3-hydroxy- Synonym
- 2-Naphthanilide, 4′-chloro-3-hydroxy-2′,5′-dimethoxy- Synonym
- N-(4-Chloro-2,5-dimethoxyphenyl)-3-hydroxy-2-naphthalenecarboxamide Synonym
- C.I. 37555 Synonym
- C.I. Azoic Coupling Component 23 Synonym
- Naphtanilide LC Synonym
- Naphtazol LC Synonym
- Naphtol AS-LC Synonym
- Naphtol AS-LCLL Synonym
- Sanatol LC Synonym
- Naphthol AS-LC Synonym
- 2-Hydroxynaphthalene-3-carboxylic acid-2′,5′-dimethoxy-4′-chlorophenylamide Synonym
- 2-Hydroxy-3-naphthoylamino-2′,5′-dimethoxy-4-chloroanilide Synonym
- Naphthol LC Synonym
- NSC 50688 Synonym
- NSC 73118 Synonym
- Dycosthol AS-LC Synonym
- Kiwa Grounder LC Synonym
- Anarthol AS-LC Synonym
- Conazoic BC Synonym
- Naftol AS-LC Synonym
- N-(2′,5′-Dimethoxy-4′-chlorophenyl)-3-hydroxy-2-naphthalenecarboxamide Synonym
- N-(4-Chloro-2,5-dimethoxyphenyl)-3-hydroxy-2-naphthamide 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(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 |
| 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...
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200 ppm
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| 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.
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MW = 357.79 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C19H16ClNO4.
