Back to Search
N-(2-Benzoylphenyl)-2-Bromoacetamide
CAS: 14439-71-5 | C15H12BrNO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
14439-71-5
Molecular Formula:
C15H12BrNO2
Molecular Mass:
318.17 g/mol
Names and Synonyms:
N-(2-Benzoylphenyl)-2-Bromoacetamide
Acetamide, N-(2-benzoylphenyl)-2-bromo-
Acetanilide, 2′-benzoyl-2-bromo-
N-(2-Benzoylphenyl)-2-bromoacetamide
Identifiers:
SMILES:
O=C(c1ccccc1)c1ccccc1N=C(O)CBr
InChI:
InChI=1S/C15H12BrNO2/c16-10-14(18)17-13-9-5-4-8-12(13)15(19)11-6-2-1-3-7-11/h1-9H,10H2,(H,17,18)
Key Properties
Melting Point
94-95 °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 | 318.17 g/mol | CAS Common Chemistry |
| 318.16999999999996 g/mol | RDKit | |
| 317.005140724 g/mol | RDKit | |
| Canonical SMILES | O=C(C=1C=CC=CC1)C=2C=CC=CC2NC(=O)CBr | CAS Common Chemistry |
| InChI | InChI=1S/C15H12BrNO2/c16-10-14(18)17-13-9-5-4-8-12(13)15(19)11-6-2-1-3-7-11/h1-9H,10H2,(H,17,18) | CAS Common Chemistry |
| InChI Key | InChIKey=HZQDHBGMMKYQDP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 94-95 °C | CAS Common Chemistry |
| Name | N-(2-Benzoylphenyl)-2-bromoacetamide | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 49.66 Ų | RDKit |
| LogP | 3.900500000000002 | RDKit |
| Molar Refractivity | 79.83430000000003 | RDKit |
