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Molecule
2-Chloro-N-(4-Methylphenyl)Acetamide
CAS: 16634-82-5 · C9H10ClNO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 16634-82-5
- Molecular Formula
- C9H10ClNO
- Molecular Mass
- 183.64 g/mol
Identifiers
CAS Registry Number
16634-82-5
SMILES
Cc1ccc(NC(=O)CCl)cc1
InChI Key
CITIOELQTFSEGI-UHFFFAOYSA-N
InChI
InChI=1S/C9H10ClNO/c1-7-2-4-8(5-3-7)11-9(12)6-10/h2-5H,6H2,1H3,(H,11,12)
Names and Synonyms
- 2-Chloro-N-(4-Methylphenyl)Acetamide Systematic Name
- Acetamide, 2-chloro-N-(4-methylphenyl)- Synonym
- p-Acetotoluidide, 2-chloro- Synonym
- 2-Chloro-N-(4-methylphenyl)acetamide Synonym
- 2-Chloro-4′-methylacetanilide Synonym
- N-(Chloroacetyl)-p-toluidine Synonym
- 2-Chloroaceto-p-toluidide Synonym
- 4′-Methyl-α-chloroacetanilide Synonym
- 2-Chloro-N-p-tolylacetamide Synonym
- p-Methylchloroacetanilide Synonym
- 2-Chloro-4′-acetotoluidide Synonym
- N-(4-Methylphenyl)chloroacetamide Synonym
- N-Chloroacetyl-4-methylaniline Synonym
- NSC 8372 Synonym
- α-Chloro-p-methylacetanilide Synonym
- 2-Chloro-N-(methylphenyl)acetamide Synonym
- 4′-Methyl-2-chloroacetanilide Synonym
- N-(4-Methylphenyl)-2-chloroacetamide 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(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 |
| 2.1723 | RDKit | |
| 2.06 | chempirical lib | |
| Molar Refractivity | 50.52870000000002 cm³/mol | RDKit |
| Formal Charge | 0 | chempirical lib |
| Ring Count | 1 | RDKit |
| Fraction Csp3 | 0.2222 | RDKit |
| 0.22 | chempirical lib | |
| Exact Mass | 183.04509162 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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.
