Back to Search
N-(3-Acetylphenyl)Acetamide
CAS: 7463-31-2 | C10H11NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7463-31-2
Molecular Formula:
C10H11NO2
Molecular Mass:
177.20 g/mol
Names and Synonyms:
N-(3-Acetylphenyl)Acetamide
Acetamide, N-(3-acetylphenyl)-
Acetanilide, 3′-acetyl-
N-(3-Acetylphenyl)acetamide
3′-Acetamidoacetophenone
3′-(Acetylamino)acetophenone
1-[3-(Acetylamino)phenyl]ethanone
3′-Acetylacetanilide
m-Acetamidoacetophenone
3-Acetamidoacetophenone
NSC 404340
3-Acetylacetanilide
Identifiers:
SMILES:
CC(=O)c1cccc(N=C(C)O)c1
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)
Key Properties
Melting Point
127-128 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
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 | 177.20 g/mol | CAS Common Chemistry |
| 177.20299999999997 g/mol | RDKit | |
| 177.078978592 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 |
| Molar Refractivity | 51.844300000000025 | RDKit |
