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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
Names and Synonyms:
3-(Acetyloxy)-N-Phenyl-2-Naphthalenecarboxamide
2-Naphthalenecarboxamide, 3-(acetyloxy)-N-phenyl-
2-Naphthanilide, 3-hydroxy-, acetate
3-(Acetyloxy)-N-phenyl-2-naphthalenecarboxamide
Naphthol AS acetate
NSC 49740
[3-(Phenylcarbamoyl)naphthalen-2-yl] acetate
2-Acetoxy-3-naphthoic acid anilide
Identifiers:
SMILES:
CC(=O)Oc1cc2ccccc2cc1C(O)=Nc1ccccc1
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)
Key Properties
Melting Point
152 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
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3
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
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40
20
0 ppm
| 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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 305.33 g/mol | CAS Common Chemistry |
| 305.333 g/mol | RDKit | |
| 305.10519334 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 |
| Molar Refractivity | 90.52480000000003 | RDKit |
