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N-[4-(2-Chloroacetyl)Phenyl]Acetamide
CAS: 140-49-8 | C10H10ClNO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
140-49-8
Molecular Formula:
C10H10ClNO2
Molecular Mass:
211.65 g/mol
Names and Synonyms:
N-[4-(2-Chloroacetyl)Phenyl]Acetamide
Acetamide, N-[4-(2-chloroacetyl)phenyl]-
Acetanilide, 4′-(chloroacetyl)-
Acetamide, N-[4-(chloroacetyl)phenyl]-
N-[4-(2-Chloroacetyl)phenyl]acetamide
1-Acetylamino-4-chloroacetylbenzene
p-(Acetylamino)phenacyl chloride
p-Acetamidophenacyl chloride
1-Acetamido-4-chloroacetylbenzene
4′-(Chloroacetyl)acetanilide
4-Acetamidophenacyl chloride
4-Acetylaminophenacyl chloride
NSC 768
Identifiers:
SMILES:
CC(O)=Nc1ccc(C(=O)CCl)cc1
InChI:
InChI=1S/C10H10ClNO2/c1-7(13)12-9-4-2-8(3-5-9)10(14)6-11/h2-5H,6H2,1H3,(H,12,13)
Key Properties
Melting Point
212 °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 | 211.65 g/mol | CAS Common Chemistry |
| 211.64799999999997 g/mol | RDKit | |
| 211.04000624 g/mol | RDKit | |
| Canonical SMILES | O=C(NC1=CC=C(C=C1)C(=O)CCl)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H10ClNO2/c1-7(13)12-9-4-2-8(3-5-9)10(14)6-11/h2-5H,6H2,1H3,(H,12,13) | CAS Common Chemistry |
| InChI Key | InChIKey=VMMDOCYDNRLESP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 212 °C | CAS Common Chemistry |
| Name | N-[4-(2-Chloroacetyl)phenyl]acetamide | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 49.660000000000004 Ų | RDKit |
| LogP | 2.716000000000001 | RDKit |
| Molar Refractivity | 56.890300000000025 | RDKit |
