chempirical

N-(4-Bromophenyl)-2-chloroacetamide

C8H7BrClNOCAS 2564-02-5248.50 g/mol

Open in Covalent MOL file
OClHNBr
Alkyl halideAmideAryl halide

Properties

Molecular formula
C8H7BrClNO
Molar mass
248.50 g/mol
Exact mass
246.9400 Da
Melting point
179–182 °C
logP
2.63Crippen estimate
Polar surface area
29.1 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
2564-02-5
SMILES
O=C(CCl)Nc1ccc(Br)cc1
InChIKey
FRZKCMCCQAJIBN-UHFFFAOYSA-N
InChI
InChI=1S/C8H7BrClNO/c9-6-1-3-7(4-2-6)11-8(12)5-10/h1-4H,5H2,(H,11,12)

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Names and synonyms

10 names
  • Acetamide, N-(4-bromophenyl)-2-chloro-
  • p-Bromo-2-chloroacetanilide
  • 2-Chloro-N-(p-bromophenyl)acetamide
  • 2-Chloro-4′-bromoacetanilide
  • N-(4-Bromophenyl)chloroacetamide
  • N-(Chloroacetyl)-4-bromoaniline
  • NSC 220248
  • 2-Chloro-N-(4-bromophenyl)acetamide
  • Acetanilide, 4′-bromo-2-chloro-
  • N-Chloroacetyl-p-bromoaniline

Work with N-(4-Bromophenyl)-2-chloroacetamide

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

2-Chloro-N-(4-methylphenyl)acetamide16634-82-564 % similar 2-Chloro-N-(4-methoxyphenyl)acetamide22303-36-258 % similar 1-(4-Bromophenyl)-2-chloroethanone4209-02-350 % similar tert-Butyl N-(4-bromophenyl)-carbamate131818-17-243 % similar N-(4-Hydroxyphenyl)propanamide1693-37-442 % similar N,N′-1,4-Phenylenebis[3-oxobutanamide]24731-73-542 % similar N-(4-Bromophenyl)thiourea2646-30-242 % similar 5-Bromo-2-oxindole20870-78-441 % similar

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

Elsewhere

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