Back to Search
2-Chloro-N-(4-Methylphenyl)Acetamide
CAS: 16634-82-5 | C9H10ClNO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
16634-82-5
Molecular Formula:
C9H10ClNO
Molecular Mass:
183.64 g/mol
Names and Synonyms:
2-Chloro-N-(4-Methylphenyl)Acetamide
Acetamide, 2-chloro-N-(4-methylphenyl)-
p-Acetotoluidide, 2-chloro-
2-Chloro-N-(4-methylphenyl)acetamide
2-Chloro-4′-methylacetanilide
N-(Chloroacetyl)-p-toluidine
2-Chloroaceto-p-toluidide
4′-Methyl-α-chloroacetanilide
2-Chloro-N-p-tolylacetamide
p-Methylchloroacetanilide
2-Chloro-4′-acetotoluidide
N-(4-Methylphenyl)chloroacetamide
N-Chloroacetyl-4-methylaniline
NSC 8372
α-Chloro-p-methylacetanilide
2-Chloro-N-(methylphenyl)acetamide
4′-Methyl-2-chloroacetanilide
N-(4-Methylphenyl)-2-chloroacetamide
Identifiers:
SMILES:
Cc1ccc(NC(=O)CCl)cc1
InChI:
InChI=1S/C9H10ClNO/c1-7-2-4-8(5-3-7)11-9(12)6-10/h2-5H,6H2,1H3,(H,11,12)
Key Properties
Melting Point
83 °C @ Solvent: Benzene, Ethanol, Carbon disulfide, Diethyl ether, Toluene
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 | 183.64 g/mol | CAS Common Chemistry |
| 183.63800000000003 g/mol | RDKit | |
| 183.04509162 g/mol | RDKit | |
| Canonical SMILES | O=C(NC1=CC=C(C=C1)C)CCl | CAS Common Chemistry |
| InChI | InChI=1S/C9H10ClNO/c1-7-2-4-8(5-3-7)11-9(12)6-10/h2-5H,6H2,1H3,(H,11,12) | CAS Common Chemistry |
| InChI Key | InChIKey=CITIOELQTFSEGI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 83 °C @ Solvent: Benzene, Ethanol, Carbon disulfide, Diethyl ether, Toluene | CAS Common Chemistry |
| Name | 2-Chloro-N-(4-methylphenyl)acetamide | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 29.1 Ų | RDKit |
| LogP | 2.17232 | RDKit |
| Molar Refractivity | 50.52870000000002 | RDKit |
