N-[4-Cyano-3-(trifluoromethyl)phenyl]-2-methylacrylamide

C₁₂H₉F₃N₂OCAS 90357-53-2254.21 g/mol

Open in Covalent MOL file

Alkene Alkyl halide Nitrile

Properties

Molecular formula: C₁₂H₉F₃N₂O
Molar mass: 254.21 g/mol
Exact mass: 254.0667 Da
Melting point: 137–139 °C
logP: 3.74Crippen estimate
Polar surface area: 56.4 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Identifiers

CAS number

90357-53-2

SMILES

C=C(C)C(O)=Nc1ccc(C#N)c(C(F)(F)F)c1

InChIKey

HHWDZLSGDDXUSM-UHFFFAOYSA-N

InChI

InChI=1S/C12H9F3N2O/c1-7(2)11(18)17-9-4-3-8(6-16)10(5-9)12(13,14)15/h3-5H,1H2,2H3,(H,17,18)

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Names and synonyms

2 names

2-Propenamide, N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl-
N-[4-Cyano-3-(trifluoromethyl)phenyl]-2-methyl-2-propenamide

Work with N-[4-Cyano-3-(trifluoromethyl)phenyl]-2-methylacrylamide

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-Cyano-3-(trifluoromethyl)phenyl]-2-methyl-2-oxiranecarboxamide90357-51-057 % similar 4-Isothiocyanato-2-(trifluoromethyl)benzonitrile143782-23-451 % similar Mk 2866841205-47-849 % similar N-[4-Cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)thio]-2-hydroxy-2-methylpropanamide90356-78-849 % similar Bicalutamide90357-06-546 % similar (2S)-3-(4-Chloro-3-fluorophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide1010396-29-844 % similar 4-Iodo-2-(trifluoromethyl)benzonitrile101066-87-944 % similar 4-Cyano-3-(trifluoromethyl)aniline654-70-644 % similar

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

Elsewhere

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