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

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled25% of notifiers
H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin25% of notifiers
H315 Causes skin irritation25% of notifiers
H319 Causes serious eye irritation25% of notifiers
H332 Harmful if inhaled25% of notifiers
H412 Harmful to aquatic life with long lasting effects50% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P501

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)

Weigh it out

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

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 N-(Chloroacetyl)-4-(trifluoromethyl)aniline2707-23-562 % similar 3-(Trifluoromethyl)benzoylacetonitrile27328-86-549 % similar 2-Cyano-3-hydroxy-N-(4-trifluoromethylphenyl)crotonamide108605-62-547 % similar Teriflunomide163451-81-847 % similar 4-(Trifluoromethyl)benzeneacetonitrile2338-75-246 % similar (4-(Trifluoromethyl)phenyl)thiourea1736-72-744 % similar 6-Trifluoromethyloxindole1735-89-342 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Phenyl-3-(trifluoromethyl)-2-pyrazolin-5-one321-07-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook