chempirical

N-(2-Bromo-4-fluorophenyl)acetamide

C8H7BrFNOCAS 1009-22-9232.05 g/mol

Open in Covalent MOL file
OHNFBr
Aryl halide

Properties

Molecular formula
C8H7BrFNO
Molar mass
232.05 g/mol
Exact mass
230.9695 Da
Melting point
119–120 °C
logP
3.20Crippen estimate
Polar surface area
32.6 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
1009-22-9
SMILES
CC(O)=Nc1ccc(F)cc1Br
InChIKey
JAVSBNOXENOHEI-UHFFFAOYSA-N
InChI
InChI=1S/C8H7BrFNO/c1-5(12)11-8-3-2-6(10)4-7(8)9/h2-4H,1H3,(H,11,12)

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Names and synonyms

5 names
  • Acetamide, N-(2-bromo-4-fluorophenyl)-
  • Acetanilide, 2′-bromo-4′-fluoro-
  • N-2-Bromo-4-fluorophenylacetamide
  • 2′-Bromo-4′-fluoroacetanilide
  • 2-Bromo-4-fluoroacetanilide

Work with N-(2-Bromo-4-fluorophenyl)acetamide

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-(2,4-Difluorophenyl)acetamide399-36-066 % similar N-(2-Bromo-4-methylphenyl)acetamide614-83-564 % similar N-(2-Chloro-4-fluorophenyl)acetamide399-35-962 % similar N-(2-Bromophenyl)acetamide614-76-659 % similar 2-(Acetylamino)-4-fluorobenzoic acid394-27-454 % similar N-(4-Fluorophenyl)acetamide351-83-751 % similar N-(3-Fluorophenyl)acetamide351-28-051 % similar N-(4-Bromo-2-methylphenyl)acetamide24106-05-651 % similar

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

Same formula

N-(4-Bromo-2-fluorophenyl)acetamide326-66-9

Elsewhere

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