chempirical

Phenylmethyl N-(4-bromo-3-fluorophenyl)carbamate

C14H11BrFNO2CAS 510729-01-8324.15 g/mol

Open in Covalent MOL file
OHNBrFO
Aryl halide

Properties

Molecular formula
C14H11BrFNO2
Molar mass
324.15 g/mol
Exact mass
322.9957 Da
logP
4.35Crippen estimate
Polar surface area
41.8 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Identifiers

CAS number
510729-01-8
SMILES
OC(=Nc1ccc(Br)c(F)c1)OCc1ccccc1
InChIKey
UPTMRBYILBFUPA-UHFFFAOYSA-N
InChI
InChI=1S/C14H11BrFNO2/c15-12-7-6-11(8-13(12)16)17-14(18)19-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,17,18)

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Names and synonyms

4 names
  • Carbamic acid, N-(4-bromo-3-fluorophenyl)-, phenylmethyl ester
  • Carbamic acid, (4-bromo-3-fluorophenyl)-, phenylmethyl ester
  • (4-Bromo-3-fluorophenyl)carbamic acid benzyl ester
  • Benzyl (4-bromo-3-fluorophenyl)carbamate

Work with Phenylmethyl N-(4-bromo-3-fluorophenyl)carbamate

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

[3-Fluoro-4-(4-morpholinyl)phenyl]carbamic acid phenylmethyl ester168828-81-762 % similar Benzyl N-hydroxycarbamate3426-71-948 % similar Phenylmethyl hydrazinecarboxylate5331-43-147 % similar N-(Benzyloxycarbonyl)-β-alanine2304-94-143 % similar Benzyloxycarbonylglycine1138-80-342 % similar Phenylmethyl N-(2-amino-2-oxoethyl)carbamate949-90-642 % similar 4-(Benzyloxycarbonylamino)butyric acid5105-78-242 % similar 1-[[(Phenylmethoxy)carbonyl]amino]cyclopropanecarboxylic acid84677-06-540 % similar

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

Elsewhere

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