chempirical

3,5-Bis(trifluoromethyl)benzamide

C9H5F6NOCAS 22227-26-5257.14 g/mol

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NH2OFFFFFF
Alkyl halide

Properties

Molecular formula
C9H5F6NO
Molar mass
257.14 g/mol
Exact mass
257.0275 Da
logP
3.61Crippen estimate
Polar surface area
44.1 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
1

Identifiers

CAS number
22227-26-5
SMILES
N=C(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIKey
YNOPIKHMZIOWHS-UHFFFAOYSA-N
InChI
InChI=1S/C9H5F6NO/c10-8(11,12)5-1-4(7(16)17)2-6(3-5)9(13,14)15/h1-3H,(H2,16,17)

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Names and synonyms

2 names
  • Benzamide, 3,5-bis(trifluoromethyl)-
  • 3,5-Ditrifluoromethylbenzamide

Work with 3,5-Bis(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

3-(Trifluoromethyl)benzamide1801-10-168 % similar 3,5-Bis(trifluoromethyl)benzoic acid725-89-355 % similar 3,5-Bis(trifluoromethyl)benzohydrazide26107-82-450 % similar 4-Fluoro-3-(trifluoromethyl)benzamide67515-57-550 % similar 6-(Trifluoromethyl)-3-pyridinecarboxamide386715-35-147 % similar 3,5-Dihydroxybenzamide3147-62-447 % similar Bis (trifluoromethyl)acetophenone30071-93-345 % similar 3,5-Bis(trifluoromethyl)benzoyl chloride785-56-845 % similar

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

Same formula

2,4-Bis(trifluoromethyl)benzamide53130-45-3

Elsewhere

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