N-(2-Benzoyl-4-chlorophenyl)-N-methylacetamide
Basic information
- CAS
36271-03-1- Standard SMILES
CC(=O)N(C)c1ccc(Cl)cc1C(=O)c1ccccc1- InChIKey
SRMOCWGDHLDWPG-UHFFFAOYSA-N- Molecular formula
- C16H14ClNO2
- Average molar mass
- 287.74 g/mol
- Monoisotopic mass
- 287.0713064
Names & identifiers
- Preferred name
- N-(2-Benzoyl-4-chlorophenyl)-N-methylacetamide
- IUPAC
- N-(2-benzoyl-4-chlorophenyl)-N-methylacetamide
- English name
- 2-(N-acethyl-N-methylamino)-5-chlorobenzophenone
- Molecular formula
- C16H14ClNO2
- Molecular weight
- 287.74
Names & synonyms
N-(2-Benzoyl-4-chlorophenyl)-N-methylacetamide36271-03-1DTXSID30337038RefChem:360478DTXCID20288126Diazepam Impurity 12Acetamide, N-(2-benzoyl-4-chlorophenyl)-N-methyl-SRMOCWGDHLDWPG-UHFFFAOYSA-NCS-0105584D765612-(N-acetyl-N-methyl-amino)-5-chlorobenzophenoneN-(2-benzoyl-4-chloro-phenyl)-N-methyl-acetamide
Show more names
Diazepam Impurity 54-Oxo Diazepam Open Ring Impurity2-(N-acethyl-N-methylamino)-5-chlorobenzophenone
N-(2-Benzoyl-4-chlorophenyl)-N-methylacetamide #Benzophenone, 2-[N-acetyl-N-methylamino]-5-chloro-
Database identifiers
- CAS
36271-03-1- PubChem CID
- 538015
- DTXSID
DTXSID30337038
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 365
Physicochemical properties
- Boiling point
- 463.6 · 463.6±40.0 °C(Predicted)
- Density
- 1.244 · 1.244±0.06 g/cm3(Predicted)
- pka
- -1.88 · -1.88±0.50(Predicted)
Chemistry & industry
Applications
Uses4-Oxo Diazepam Open Ring Impurity is an impurity of Diazepam (D416855), an anxiolytic; muscle relaxant (skeletal); anticonvulsant.
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Compound notes
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