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Molecule
N-(2,5-Dimethoxyphenyl)-3-Hydroxy-2-Naphthalenecarboxamide
CAS: 92-73-9 · C19H17NO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 92-73-9
- Molecular Formula
- C19H17NO4
- Molecular Mass
- 323.35 g/mol
Identifiers
CAS Registry Number
92-73-9
SMILES
COc1ccc(OC)c(N=C(O)c2cc3ccccc3cc2O)c1
InChI Key
LAKNSQZHAUYJJM-UHFFFAOYSA-N
InChI
InChI=1S/C19H17NO4/c1-23-14-7-8-18(24-2)16(11-14)20-19(22)15-9-12-5-3-4-6-13(12)10-17(15)21/h3-11,21H,1-2H3,(H,20,22)
Names and Synonyms
- N-(2,5-Dimethoxyphenyl)-3-Hydroxy-2-Naphthalenecarboxamide Synonym
- 2-Naphthalenecarboxamide, N-(2,5-dimethoxyphenyl)-3-hydroxy- Synonym
- 2-Naphthanilide, 3-hydroxy-2′,5′-dimethoxy- Synonym
- N-(2,5-Dimethoxyphenyl)-3-hydroxy-2-naphthalenecarboxamide Synonym
- Brenthol FO Synonym
- 3-Hydroxy-2′,5′-dimethoxy-2-naphthanilide Synonym
- Naphtol AS-BG Synonym
- Naphtol AS-BG Supra Synonym
- Sanatol BG Synonym
- Solunaptol FOL Synonym
- Tulathol AS-BG Synonym
- Naphthol AS-BG Synonym
- C.I. Azoic Coupling Component 19 Synonym
- NSC 37618 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 323.35 g/mol | CAS Common Chemistry |
| 323.34800000000007 g/mol | RDKit | |
| 323.348 g/mol | RDKit | |
| Canonical SMILES | O=C(NC1=CC(OC)=CC=C1OC)C2=CC=3C=CC=CC3C=C2O | CAS Common Chemistry |
| InChI | InChI=1S/C19H17NO4/c1-23-14-7-8-18(24-2)16(11-14)20-19(22)15-9-12-5-3-4-6-13(12)10-17(15)21/h3-11,21H,1-2H3,(H,20,22) | CAS Common Chemistry |
| InChI Key | InChIKey=LAKNSQZHAUYJJM-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-(2,5-Dimethoxyphenyl)-3-hydroxy-2-naphthalenecarboxamide | CAS Common Chemistry |
| Heavy Atom Count | 24 | 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 | 4.198900000000004 | RDKit |
| 4.1989 | RDKit | |
| Molar Refractivity | 93.98460000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1053 | RDKit |
| 0.11 | chempirical lib | |
| Exact Mass | 323.115758024 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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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 = 323.35 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C19H17NO4.
