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Molecule
3-(Acetyloxy)-N-Phenyl-2-Naphthalenecarboxamide
CAS: 1163-67-3 · C19H15NO3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1163-67-3
- Molecular Formula
- C19H15NO3
- Molecular Mass
- 305.33 g/mol
Identifiers
CAS Registry Number
1163-67-3
SMILES
CC(=O)Oc1cc2ccccc2cc1C(O)=Nc1ccccc1
InChI Key
CVJGNNYDVQYHEO-UHFFFAOYSA-N
InChI
InChI=1S/C19H15NO3/c1-13(21)23-18-12-15-8-6-5-7-14(15)11-17(18)19(22)20-16-9-3-2-4-10-16/h2-12H,1H3,(H,20,22)
Names and Synonyms
- 3-(Acetyloxy)-N-Phenyl-2-Naphthalenecarboxamide Systematic Name
- 2-Naphthalenecarboxamide, 3-(acetyloxy)-N-phenyl- Synonym
- 2-Naphthanilide, 3-hydroxy-, acetate Synonym
- 3-(Acetyloxy)-N-phenyl-2-naphthalenecarboxamide Synonym
- Naphthol AS acetate Synonym
- NSC 49740 Synonym
- [3-(Phenylcarbamoyl)naphthalen-2-yl] acetate Synonym
- 2-Acetoxy-3-naphthoic acid anilide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 305.33 g/mol | CAS Common Chemistry |
| 305.333 g/mol | RDKit | |
| Canonical SMILES | O=C(OC1=CC=2C=CC=CC2C=C1C(=O)NC=3C=CC=CC3)C | CAS Common Chemistry |
| InChI | InChI=1S/C19H15NO3/c1-13(21)23-18-12-15-8-6-5-7-14(15)11-17(18)19(22)20-16-9-3-2-4-10-16/h2-12H,1H3,(H,20,22) | CAS Common Chemistry |
| InChI Key | InChIKey=CVJGNNYDVQYHEO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 152 °C | CAS Common Chemistry |
| Name | 3-(Acetyloxy)-N-phenyl-2-naphthalenecarboxamide | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 58.89 Ų | RDKit |
| LogP | 4.401400000000003 | RDKit |
| 4.4014 | RDKit | |
| Molar Refractivity | 90.52480000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0526 | RDKit |
| 0.05 | chempirical lib | |
| Exact Mass | 305.10519334 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 = 305.33 g/mol. Edit any field — others recompute live.
