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Molecule
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
Identifiers
CAS Registry Number
140-49-8
SMILES
CC(O)=Nc1ccc(C(=O)CCl)cc1
InChI Key
VMMDOCYDNRLESP-UHFFFAOYSA-N
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)
Names and Synonyms
- N-[4-(2-Chloroacetyl)Phenyl]Acetamide Synonym
- Acetamide, N-[4-(2-chloroacetyl)phenyl]- Synonym
- Acetanilide, 4′-(chloroacetyl)- Synonym
- Acetamide, N-[4-(chloroacetyl)phenyl]- Synonym
- N-[4-(2-Chloroacetyl)phenyl]acetamide Synonym
- 1-Acetylamino-4-chloroacetylbenzene Synonym
- p-(Acetylamino)phenacyl chloride Synonym
- p-Acetamidophenacyl chloride Synonym
- 1-Acetamido-4-chloroacetylbenzene Synonym
- 4′-(Chloroacetyl)acetanilide Synonym
- 4-Acetamidophenacyl chloride Synonym
- 4-Acetylaminophenacyl chloride Synonym
- NSC 768 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 211.65 g/mol | CAS Common Chemistry |
| 211.64799999999997 g/mol | RDKit | |
| 211.648 g/mol | RDKit | |
| 211.645 g/mol | chempirical lib | |
| 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 |
| 49.66 Ų | RDKit | |
| LogP | 2.716000000000001 | RDKit |
| 2.716 | RDKit | |
| Molar Refractivity | 56.890300000000025 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2 | RDKit |
| Exact Mass | 211.04000624 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
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200 ppm
180
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140
120
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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 = 211.65 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H10ClNO2.
