chempirical

N-(2-Benzoylphenyl)-2-bromoacetamide

C15H12BrNO2CAS 14439-71-5318.17 g/mol

Open in Covalent MOL file
OHNOBr
Alkyl halideKetone

Properties

Molecular formula
C15H12BrNO2
Molar mass
318.17 g/mol
Exact mass
317.0051 Da
Melting point
94–95 °C
logP
3.90Crippen estimate
Polar surface area
49.7 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
4

Identifiers

CAS number
14439-71-5
SMILES
O=C(c1ccccc1)c1ccccc1N=C(O)CBr
InChIKey
HZQDHBGMMKYQDP-UHFFFAOYSA-N
InChI
InChI=1S/C15H12BrNO2/c16-10-14(18)17-13-9-5-4-8-12(13)15(19)11-6-2-1-3-7-11/h1-9H,10H2,(H,17,18)

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Names and synonyms

2 names
  • Acetamide, N-(2-benzoylphenyl)-2-bromo-
  • Acetanilide, 2′-benzoyl-2-bromo-

Work with N-(2-Benzoylphenyl)-2-bromoacetamide

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-Benzoyl-4-nitrophenyl)-2-bromoacetamide2011-70-363 % similar 2′-Benzoylacetanilide85-99-459 % similar 2-Chloroacetamido-5-chlorobenzophenone4016-85-751 % similar 1,3-Dihydro-5-phenyl-2H-1,4-benzodiazepin-2-one2898-08-049 % similar 1,2-Dibenzoylbenzene1159-86-049 % similar 2-Benzoylbenzoic acid85-52-948 % similar 2-Bromobenzophenone13047-06-846 % similar 2-Hydroxybenzophenone117-99-745 % similar

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

Elsewhere

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