N-(Chloroacetyl)-2-(trifluoromethyl)aniline

C₉H₇ClF₃NOCAS 3792-04-9237.61 g/mol

Open in Covalent MOL file

Alkyl halide Amide

Properties

Molecular formula: C₉H₇ClF₃NO
Molar mass: 237.61 g/mol
Exact mass: 237.0168 Da
logP: 2.88Crippen estimate
Polar surface area: 29.1 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Identifiers

CAS number

3792-04-9

SMILES

C1=CC=C(C(=C1)C(F)(F)F)NC(=O)CCl

InChIKey

GCSXEMRXTRHXIS-UHFFFAOYSA-N

InChI

InChI=1S/C9H7ClF3NO/c10-5-8(15)14-7-4-2-1-3-6(7)9(11,12)13/h1-4H,5H2,(H,14,15)

Weigh it out

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

Names and synonyms

1 names

2-Chloro-alpha,alpha,alpha-trifluoro-ortho-acetotoluidide

Work with N-(Chloroacetyl)-2-(trifluoromethyl)aniline

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

2-Chloro-N-(2-chlorophenyl)acetamide3289-76-758 % similar 2-Chloro-N-(2,3-dichlorophenyl)acetamide33560-47-351 % similar 2-Chloro-N-(2-nitrophenyl)acetamide10147-70-350 % similar N-[2-(Trifluoromethyl)phenyl]thiourea1736-71-649 % similar [2-(Trifluoromethyl)phenyl]hydrazine365-34-446 % similar N-Methyl-2-(trifluoromethyl)benzenamine14925-10-145 % similar 2-Chloro-N-[4-(trifluoromethoxy)phenyl]acetamide161290-85-344 % similar 2-Chloro-N-(3-fluorophenyl)acetamide350-81-244 % similar

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

Same formula

N-(2-Chloro-4-(trifluoromethyl)phenyl)acetamide247170-19-0 N-(Chloroacetyl)-4-(trifluoromethyl)aniline2707-23-5 2-Chloro-N-[3-(trifluoromethyl)phenyl]acetamide351-38-2

Elsewhere

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