chempirical

N-(2-Benzoyl-4-nitrophenyl)-2-bromoacetamide

C15H11BrN2O4CAS 2011-70-3363.17 g/mol

Open in Covalent MOL file
ON+OO−NHOBr
Alkyl halideKetoneNitro

Properties

Molecular formula
C15H11BrN2O4
Molar mass
363.17 g/mol
Exact mass
361.9902 Da
Melting point
155–156 °C
logP
3.81Crippen estimate
Polar surface area
92.8 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
5

Identifiers

CAS number
2011-70-3
SMILES
O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1N=C(O)CBr
InChIKey
USZJZGVAIGKLRF-UHFFFAOYSA-N
InChI
InChI=1S/C15H11BrN2O4/c16-9-14(19)17-13-7-6-11(18(21)22)8-12(13)15(20)10-4-2-1-3-5-10/h1-8H,9H2,(H,17,19)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names
  • Acetamide, N-(2-benzoyl-4-nitrophenyl)-2-bromo-
  • Acetanilide, 2′-benzoyl-2-bromo-4′-nitro-
  • 5-Nitro-2-(bromoacetamido)benzophenone

Work with N-(2-Benzoyl-4-nitrophenyl)-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-Benzoylphenyl)-2-bromoacetamide14439-71-563 % similar Nitrazepam146-22-562 % similar 2-Amino-5-nitrobenzophenone1775-95-755 % similar 2-Chloro-5-nitrobenzophenone34052-37-455 % similar Clonazepam1622-61-351 % similar 3-Nitrobenzophenone2243-80-349 % similar 4-Nitrobenzophenone1144-74-749 % similar 2-Chloroacetamido-5-chlorobenzophenone4016-85-748 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook