chempirical

N-(2-Chlorophenyl)-3-oxobutanamide

C10H10ClNO2CAS 93-70-9211.64 g/mol

Open in Covalent MOL file
OOHNCl
Aryl halideKetone

Properties

Molecular formula
C10H10ClNO2
Molar mass
211.64 g/mol
Exact mass
211.0400 Da
Melting point
107–108 °C
logP
2.91Crippen estimate
Polar surface area
49.7 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Identifiers

CAS number
93-70-9
SMILES
CC(=O)CC(O)=Nc1ccccc1Cl
InChIKey
BFVHBHKMLIBQNN-UHFFFAOYSA-N
InChI
InChI=1S/C10H10ClNO2/c1-7(13)6-10(14)12-9-5-3-2-4-8(9)11/h2-5H,6H2,1H3,(H,12,14)

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Names and synonyms

14 names · show all
  • Butanamide, N-(2-chlorophenyl)-3-oxo-
  • Acetoacetanilide, 2′-chloro-
  • AAoC
  • Acetoacet-o-chloroanilide
  • o-Acetoacetochloroanilide
  • 2′-Chloroacetoacetanilide
  • o-Chloroacetoacetanilide
  • Acetoacetyl-o-chloroanilide
  • N-Acetoacetyl-2-chloroaniline
  • N-(2-Chlorophenyl)acetoacetamide
  • Acetoacetyl-2-chloroanilide
  • Acetoacetic acid 2-chloroanilide
  • Acetoacetic acid o-chloroanilide
  • NSC 3913

Work with N-(2-Chlorophenyl)-3-oxobutanamide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N-(2,5-Dichlorophenyl)-3-oxobutanamide2044-72-673 % similar O-Acetoacetotoluidide93-68-567 % similar 2-Acetoacetylaminobenzoic acid35354-86-063 % similar Acetoacetanilide102-01-262 % similar O-Acetoacetanisidide92-15-962 % similar N-(4-Chloro-2,5-dimethoxyphenyl)-3-oxobutanamide4433-79-860 % similar N-(2,4-Dimethylphenyl)-3-oxobutanamide97-36-955 % similar N-(2-Chlorophenyl)acetamide533-17-553 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

N-(4-Chlorophenyl)-3-oxobutanamide101-92-8 N-[4-(2-Chloroacetyl)phenyl]acetamide140-49-8

Elsewhere

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