N-[4-Bromo-3-(trifluoromethyl)phenyl]acetamide

C9H7BrF3NOCAS 41513-05-7282.06 g/mol

Open in Covalent MOL file
OHNBrFFF
Alkyl halideAryl halide

Properties

Molecular formula
C9H7BrF3NO
Molar mass
282.06 g/mol
Exact mass
280.9663 Da
logP
4.08Crippen estimate
Polar surface area
32.6 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
41513-05-7
SMILES
CC(O)=Nc1ccc(Br)c(C(F)(F)F)c1
InChIKey
AOHSBSXIGFIMNC-UHFFFAOYSA-N
InChI
InChI=1S/C9H7BrF3NO/c1-5(15)14-6-2-3-8(10)7(4-6)9(11,12)13/h2-4H,1H3,(H,14,15)

Weigh it out

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Names and synonyms

3 names
  • Acetamide, N-[4-bromo-3-(trifluoromethyl)phenyl]-
  • 4-Bromo-3-trifluoromethylacetanilide
  • N-(4-Bromo-3-(trifluoromethyl)phenyl)acetamide

Work with N-[4-Bromo-3-(trifluoromethyl)phenyl]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-(4-Amino-3-(trifluoromethyl)phenyl)acetamide1579-89-165 % similar N-(4-Bromo-3-methylphenyl)acetamide90914-81-159 % similar N-[4-(Trifluoromethyl)phenyl]acetamide349-97-355 % similar N-[3-(Trifluoromethyl)phenyl]acetamide351-36-054 % similar 4-Bromo-3-(trifluoromethyl)benzoic acid161622-14-649 % similar N-[2-(Trifluoromethyl)phenyl]acetamide344-62-749 % similar 2-Bromo-5-methylbenzotrifluoride261952-20-949 % similar 4-Bromo-3-(trifluoromethyl)phenol320-49-049 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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