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Molecule
2-Chloro-N-Methyl-N-Phenylacetamide
CAS: 2620-05-5 · C9H10ClNO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2620-05-5
- Molecular Formula
- C9H10ClNO
- Molecular Mass
- 183.64 g/mol
Identifiers
CAS Registry Number
2620-05-5
SMILES
CN(C(=O)CCl)c1ccccc1
InChI Key
VUOFGWLJEBESHL-UHFFFAOYSA-N
InChI
InChI=1S/C9H10ClNO/c1-11(9(12)7-10)8-5-3-2-4-6-8/h2-6H,7H2,1H3
Names and Synonyms
- 2-Chloro-N-Methyl-N-Phenylacetamide Synonym
- Acetamide, 2-chloro-N-methyl-N-phenyl- Synonym
- Acetanilide, 2-chloro-N-methyl- Synonym
- 2-Chloro-N-methyl-N-phenylacetamide Synonym
- N-Chloroacetyl-N-methylaniline Synonym
- 2-Chloro-N-methylacetanilide Synonym
- N-Methylchloroacetanilide Synonym
- α-Chloro-N-methylacetanilide Synonym
- Chloroacetic acid N-methylanilide Synonym
- NSC 8283 Synonym
- N-Methyl-N-phenylchloracetamide Synonym
- N-Methyl-N-phenylchloroacetamide Synonym
- [N-Methyl-N-(phenyl)aminocarbonylmethyl]chloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 183.64 g/mol | CAS Common Chemistry |
| 183.63800000000003 g/mol | RDKit | |
| 183.638 g/mol | RDKit | |
| 183.635 g/mol | chempirical lib | |
| Canonical SMILES | O=C(N(C=1C=CC=CC1)C)CCl | CAS Common Chemistry |
| InChI | InChI=1S/C9H10ClNO/c1-11(9(12)7-10)8-5-3-2-4-6-8/h2-6H,7H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=VUOFGWLJEBESHL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 70 °C | CAS Common Chemistry |
| Name | 2-Chloro-N-methyl-N-phenylacetamide | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 20.310000000000002 Ų | RDKit |
| 20.31 Ų | RDKit | |
| 20.08 Ų | chempirical lib | |
| LogP | 1.8881999999999999 | RDKit |
| 1.8882 | RDKit | |
| 2.06 | chempirical lib | |
| Molar Refractivity | 50.57200000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2222 | RDKit |
| 0.22 | chempirical lib | |
| Exact Mass | 183.04509162 g/mol | RDKit |
| Boiling Point | 126-132 °C @ 6 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 183.64 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H10ClNO.
