2-Methyl-N-[3-(trifluoromethyl)phenyl]propanamide

C₁₁H₁₂F₃NOCAS 1939-27-1231.22 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₁₂F₃NO
Molar mass: 231.22 g/mol
Exact mass: 231.0871 Da
Melting point: 100–101 °C
logP: 3.95Crippen estimate
Polar surface area: 32.6 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Hazards

Warning

H373 ** May causes damage to organs through prolonged or repeated exposureSpecific target organ toxicity, repeated exposure
H411 Toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 616-048-00-6), via PubChem.

Precautionary statements

P260, P273, P319, P391, P501

Identifiers

CAS number

1939-27-1

SMILES

CC(C)C(O)=Nc1cccc(C(F)(F)F)c1

InChIKey

GETMKVRSDFVVHL-UHFFFAOYSA-N

InChI

InChI=1S/C11H12F3NO/c1-7(2)10(16)15-9-5-3-4-8(6-9)11(12,13)14/h3-7H,1-2H3,(H,15,16)

Weigh it out

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

Names and synonyms

5 names

Propanamide, 2-methyl-N-[3-(trifluoromethyl)phenyl]-
m-Propionotoluidide, α,α,α-trifluoro-2-methyl-
2-Methyl-N-[3-(trifluoromethyl)phenyl]propionamide
3′-Trifluoromethylisobutyranilide
3-Trifluoromethylisobutyranilide

Work with 2-Methyl-N-[3-(trifluoromethyl)phenyl]propanamide

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-[3-(Trifluoromethyl)phenyl]acetamide351-36-062 % similar Fluometuron2164-17-257 % similar 2-Chloro-N-(3-(trifluoromethyl)phenyl)acetamide351-38-253 % similar Flutamide13311-84-750 % similar Alpha-methyl-3-(trifluoromethyl)benzyl alcohol454-91-149 % similar 3-(Trifluoromethyl)phenyl isocyanate329-01-146 % similar (R)-1-[3-(Trifluoromethyl)phenyl]ethylamine127852-30-645 % similar 3-(Trifluoromethyl)phenyl isothiocyanate1840-19-345 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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