chempirical

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

C8H7BrFNOCAS 326-66-9232.05 g/mol

Open in Covalent MOL file
OHNBrF
Aryl halide

Properties

Molecular formula
C8H7BrFNO
Molar mass
232.05 g/mol
Exact mass
230.9695 Da
Melting point
158–160 °C
logP
3.20Crippen estimate
Polar surface area
32.6 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
326-66-9
SMILES
CC(O)=Nc1ccc(Br)cc1F
InChIKey
BCYGKMDWQBWUSC-UHFFFAOYSA-N
InChI
InChI=1S/C8H7BrFNO/c1-5(12)11-8-3-2-6(9)4-7(8)10/h2-4H,1H3,(H,11,12)

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

Names and synonyms

7 names
  • 4-Acetamido-3-fluoro-1-bromobenzene
  • 2′-Fluoro-4′-bromoacetanilide
  • (4-Bromo-2-fluorophenyl)acetamide
  • Acetamide, N-(4-bromo-2-fluorophenyl)-
  • Acetanilide, 4′-bromo-2′-fluoro-
  • 4′-Bromo-2′-fluoroacetanilide
  • N-Acetyl-4-bromo-2-fluoroaniline

Work with N-(4-Bromo-2-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-(4-Bromo-2-methylphenyl)acetamide24106-05-664 % similar N-(4-Chloro-2-fluorophenyl)acetamide59280-70-564 % similar N-[4-Bromo-2-(trifluoromethoxy)phenyl]acetamide175278-18-957 % similar 2′-Fluoroacetanilide399-31-557 % similar Bromoacetanilide103-88-853 % similar N-(2-Bromo-4-methylphenyl)acetamide614-83-548 % similar N-(2-Chloro-4-fluorophenyl)acetamide399-35-946 % similar

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

Same formula

N-(2-Bromo-4-fluorophenyl)acetamide1009-22-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook