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2-Chloroacetamido-5-Chlorobenzophenone
CAS: 4016-85-7 | C15H11Cl2NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4016-85-7
Molecular Formula:
C15H11Cl2NO2
Molecular Mass:
308.16 g/mol
Names and Synonyms:
2-Chloroacetamido-5-Chlorobenzophenone
Acetamide, N-(2-benzoyl-4-chlorophenyl)-2-chloro-
Acetanilide, 2′-benzoyl-2,4′-dichloro-
N-(2-Benzoyl-4-chlorophenyl)-2-chloroacetamide
5-Chloro-2-(chloroacetamido)benzophenone
5-Chloro-2-chloracetylaminobenzophenone
2-(2-Chloroacetamido)-5-chlorobenzophenone
2-Chloroacetamido-5-chlorobenzophenone
NSC 270127
Identifiers:
SMILES:
O=C(c1ccccc1)c1cc(Cl)ccc1N=C(O)CCl
InChI:
InChI=1S/C15H11Cl2NO2/c16-9-14(19)18-13-7-6-11(17)8-12(13)15(20)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)
Key Properties
Melting Point
119-121 °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 | 308.16 g/mol | CAS Common Chemistry |
| 308.164 g/mol | RDKit | |
| 307.016683952 g/mol | RDKit | |
| Canonical SMILES | O=C(C=1C=CC=CC1)C2=CC(Cl)=CC=C2NC(=O)CCl | CAS Common Chemistry |
| InChI | InChI=1S/C15H11Cl2NO2/c16-9-14(19)18-13-7-6-11(17)8-12(13)15(20)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19) | CAS Common Chemistry |
| InChI Key | InChIKey=HDXLZRWEZZFDKA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 119-121 °C | CAS Common Chemistry |
| Name | 2-Chloroacetamido-5-chlorobenzophenone | CAS Common Chemistry |
| Heavy Atom Count | 20 | 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 | 4.397800000000002 | RDKit |
| Molar Refractivity | 81.77030000000002 | RDKit |
