2-Cyano-N-[4-(trifluoromethyl)phenyl]acetamide

C₁₀H₇F₃N₂OCAS 24522-30-3228.17 g/mol

Open in Covalent MOL file

Alkyl halide Amide Nitrile

Properties

Molecular formula: C₁₀H₇F₃N₂O
Molar mass: 228.17 g/mol
Exact mass: 228.0510 Da
Melting point: 145–147 °C
logP: 2.56Crippen estimate
Polar surface area: 52.9 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Identifiers

CAS number

24522-30-3

SMILES

N#CCC(=O)Nc1ccc(C(F)(F)F)cc1

InChIKey

JBNCFFDGYDZEEN-UHFFFAOYSA-N

InChI

InChI=1S/C10H7F3N2O/c11-10(12,13)7-1-3-8(4-2-7)15-9(16)5-6-14/h1-4H,5H2,(H,15,16)

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Names and synonyms

2 names

Acetamide, 2-cyano-N-[4-(trifluoromethyl)phenyl]-
p-Acetotoluidide, 2-cyano-α,α,α-trifluoro-

Work with 2-Cyano-N-[4-(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-Chlorophenyl)-2-cyanoacetamide17722-17-762 % similar 2-Cyano-3-hydroxy-N-(4-trifluoromethylphenyl)crotonamide108605-62-547 % similar Teriflunomide163451-81-847 % similar 4-(Trifluoromethyl)benzeneacetonitrile2338-75-246 % similar 4-Trifluoromethylphenylhydrazine368-90-139 % similar 4-(Trifluoromethyl)benzonitrile455-18-538 % similar Leflunomide75706-12-638 % similar 4′-Trifluoromethylbenzophenone728-86-938 % similar

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

Elsewhere

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