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Molecule
N-(3-Acetylphenyl)Acetamide
CAS: 7463-31-2 · C10H11NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 7463-31-2
- Molecular Formula
- C10H11NO2
- Molecular Mass
- 177.20 g/mol
Identifiers
CAS Registry Number
7463-31-2
SMILES
CC(=O)c1cccc(N=C(C)O)c1
InChI Key
AFZTYHRVDOKRKV-UHFFFAOYSA-N
InChI
InChI=1S/C10H11NO2/c1-7(12)9-4-3-5-10(6-9)11-8(2)13/h3-6H,1-2H3,(H,11,13)
Names and Synonyms
- N-(3-Acetylphenyl)Acetamide Common Name
- Acetamide, N-(3-acetylphenyl)- Synonym
- Acetanilide, 3′-acetyl- Synonym
- N-(3-Acetylphenyl)acetamide Synonym
- 3′-Acetamidoacetophenone Synonym
- 3′-(Acetylamino)acetophenone Synonym
- 1-[3-(Acetylamino)phenyl]ethanone Synonym
- 3′-Acetylacetanilide Synonym
- m-Acetamidoacetophenone Synonym
- 3-Acetamidoacetophenone Synonym
- NSC 404340 Synonym
- 3-Acetylacetanilide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 177.20 g/mol | CAS Common Chemistry |
| 177.20299999999997 g/mol | RDKit | |
| 177.203 g/mol | RDKit | |
| Canonical SMILES | O=C(NC1=CC=CC(=C1)C(=O)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H11NO2/c1-7(12)9-4-3-5-10(6-9)11-8(2)13/h3-6H,1-2H3,(H,11,13) | CAS Common Chemistry |
| InChI Key | InChIKey=AFZTYHRVDOKRKV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 127-128 °C | CAS Common Chemistry |
| Name | N-(3-Acetylphenyl)acetamide | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 49.66 Ų | RDKit |
| LogP | 2.4970999999999997 | RDKit |
| 2.4971 | RDKit | |
| Molar Refractivity | 51.844300000000025 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2 | RDKit |
| Exact Mass | 177.078978592 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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.
External Resources
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MW = 177.20 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H11NO2.
