N-(Chloroacetyl)-4-(trifluoromethyl)aniline

C₉H₇ClF₃NOCAS 2707-23-5237.61 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

2707-23-5

SMILES

C1=CC(=CC=C1C(F)(F)F)NC(=O)CCl

InChIKey

BHXKHTOSJBCCMU-UHFFFAOYSA-N

InChI

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

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

Names and synonyms

1 names

2-Chloro-N-(4-(trifluoromethyl)phenyl)acetamide

Work with N-(Chloroacetyl)-4-(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-(4-fluorophenyl)acetamide351-04-263 % similar 2-Chloro-N-[4-(trifluoromethoxy)phenyl]acetamide161290-85-362 % similar 2-Cyano-N-[4-(trifluoromethyl)phenyl]acetamide24522-30-362 % similar N-(4-Chlorophenyl)-2-chloroacetamide3289-75-660 % similar 2-Chloro-N-(4-methylphenyl)acetamide16634-82-558 % similar N-(4-Bromophenyl)-2-chloroacetamide2564-02-558 % similar 2-Chloro-N-(4-isopropylphenyl)acetamide1527-61-354 % similar 2-Chloro-N-(4-methoxyphenyl)acetamide22303-36-254 % similar

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

Same formula

N-(2-Chloro-4-(trifluoromethyl)phenyl)acetamide247170-19-0 2-Chloro-N-[3-(trifluoromethyl)phenyl]acetamide351-38-2 N-(Chloroacetyl)-2-(trifluoromethyl)aniline3792-04-9

Elsewhere

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