N-[4-Amino-3-(trifluoromethyl)phenyl]acetamide

C₉H₉F₃N₂OCAS 1579-89-1218.18 g/mol

Open in Covalent MOL file

Alkyl halide Primary amine

Properties

Molecular formula: C₉H₉F₃N₂O
Molar mass: 218.18 g/mol
Exact mass: 218.0667 Da
Melting point: 118–119 °C
logP: 2.90Crippen estimate
Polar surface area: 58.6 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Identifiers

CAS number

1579-89-1

SMILES

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

InChIKey

QMCLCXKXDXBQLB-UHFFFAOYSA-N

InChI

InChI=1S/C9H9F3N2O/c1-5(15)14-6-2-3-8(13)7(4-6)9(10,11)12/h2-4H,13H2,1H3,(H,14,15)

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

Names and synonyms

4 names

Acetamide, N-[4-amino-3-(trifluoromethyl)phenyl]-
m-Acetotoluidide, 4′-amino-α,α,α-trifluoro-
α,α,α-Trifluoro-4′-amino-m-acetotoluidide
2-Amino-5-acetamidobenzotrifluoride

Work with N-[4-Amino-3-(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-Bromo-3-(trifluoromethyl)phenyl]acetamide41513-05-765 % similar N-[3-(Trifluoromethyl)phenyl]acetamide351-36-057 % similar N-[4-(Trifluoromethyl)phenyl]acetamide349-97-355 % similar N-(3-Amino-4-chlorophenyl)acetamide51867-83-554 % similar 5-Acetamidoanthranilic acid50670-83-253 % similar N-(3-Amino-4-methoxyphenyl)acetamide6375-47-952 % similar 5-Acetamido-2-aminobenzenesulfonic acid96-78-651 % similar 4-Amino-3-(trifluoromethyl)benzoic acid400-76-049 % similar

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

Elsewhere

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