3-Chloro-2-fluoro-6-(trifluoromethyl)benzamide

C₈H₄ClF₄NOCAS 186517-42-0241.57 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₈H₄ClF₄NO
Molar mass: 241.57 g/mol
Exact mass: 240.9918 Da
logP: 3.38Crippen estimate
Polar surface area: 44.1 Å²
H-bond donors / acceptors: 2 / 1
Rotatable bonds: 1

Identifiers

CAS number

186517-42-0

SMILES

N=C(O)c1c(C(F)(F)F)ccc(Cl)c1F

InChIKey

OQHHVMDGJULHEK-UHFFFAOYSA-N

InChI

InChI=1S/C8H4ClF4NO/c9-4-2-1-3(8(11,12)13)5(6(4)10)7(14)15/h1-2H,(H2,14,15)

Weigh it out

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

Names and synonyms

2 names

Benzamide, 3-chloro-2-fluoro-6-(trifluoromethyl)-
3-Chloro-2-fluoro-6-trifluoromethylbenzamide

Work with 3-Chloro-2-fluoro-6-(trifluoromethyl)benzamide

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-6-fluorobenzamide66073-54-946 % similar 2,6-Dichlorobenzamide2008-58-446 % similar 2,6-Dichloro-4-(trifluoromethyl)-3-pyridinecarboxamide158063-67-346 % similar 2-(Trifluoromethyl)benzamide360-64-544 % similar 4-Fluoro-2-(trifluoromethyl)benzamide207919-06-043 % similar 4-Fluoro-3-(trifluoromethyl)benzamide67515-57-543 % similar 2,6-Difluorobenzamide18063-03-142 % similar 2,3,4,5,6-Pentafluorobenzamide652-31-342 % similar

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

Elsewhere

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