chempirical

N-(4-Chlorophenyl)-3-oxobutanamide

C10H10ClNO2CAS 101-92-8211.64 g/mol

Open in Covalent MOL file
OOHNCl
AmideAryl halideKetone

Properties

Molecular formula
C10H10ClNO2
Molar mass
211.64 g/mol
Exact mass
211.0400 Da
Melting point
66–67 °C
logP
2.26Crippen estimate
Polar surface area
46.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Identifiers

CAS number
101-92-8
SMILES
CC(=O)CC(=O)Nc1ccc(Cl)cc1
InChIKey
JMRJWEJJUKUBEA-UHFFFAOYSA-N
InChI
InChI=1S/C10H10ClNO2/c1-7(13)6-10(14)12-9-4-2-8(11)3-5-9/h2-5H,6H2,1H3,(H,12,14)

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Names and synonyms

8 names
  • Butanamide, N-(4-chlorophenyl)-3-oxo-
  • Acetoacetanilide, 4′-chloro-
  • Acetoacet-p-chloroanilide
  • p-Chloroacetoacetanilide
  • 4′-Chloroacetoacetanilide
  • N-(4-Chlorophenyl)acetoacetamide
  • NSC 3544
  • N-(4-Chlorophenyl)acetylacetamide

Work with N-(4-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,N′-1,4-Phenylenebis[3-oxobutanamide]24731-73-580 % similar N-(4-Methylphenyl)-3-oxobutanamide2415-85-269 % similar N-(4-Methoxyphenyl)-3-oxobutanamide5437-98-963 % similar N-(4-Chloro-2-methylphenyl)-3-oxobutanamide20139-55-361 % similar N-(4-Ethoxyphenyl)-3-oxobutanamide122-82-760 % similar N-(4-Chlorophenyl)-2-cyanoacetamide17722-17-754 % similar (4-Chlorophenyl)acetone5586-88-950 % similar Naphtanilide G91-96-347 % similar

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

Same formula

N-[4-(2-Chloroacetyl)phenyl]acetamide140-49-8 N-(2-Chlorophenyl)-3-oxobutanamide93-70-9

Elsewhere

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