2-Chloro-N-[4-(trifluoromethoxy)phenyl]acetamide

C₉H₇ClF₃NO₂CAS 161290-85-3253.61 g/mol

Open in Covalent MOL file

Alkyl halide Amide Ether

Properties

Molecular formula: C₉H₇ClF₃NO₂
Molar mass: 253.61 g/mol
Exact mass: 253.0117 Da
logP: 2.76Crippen estimate
Polar surface area: 38.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Identifiers

CAS number

161290-85-3

SMILES

C1=CC(=CC=C1NC(=O)CCl)OC(F)(F)F

InChIKey

MIWYZHHKNDZBCB-UHFFFAOYSA-N

InChI

InChI=1S/C9H7ClF3NO2/c10-5-8(15)14-6-1-3-7(4-2-6)16-9(11,12)13/h1-4H,5H2,(H,14,15)

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Names and synonyms

1 names

N-(Chloroacetyl)-4-(trifluoromethoxy)aniline

Work with 2-Chloro-N-[4-(trifluoromethoxy)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

2-Chloro-N-(4-methoxyphenyl)acetamide22303-36-262 % similar 2-Chloro-N-(4-methylphenyl)acetamide16634-82-554 % similar N-(4-Bromophenyl)-2-chloroacetamide2564-02-554 % similar 1-(4-(Trifluoromethoxy)phenyl)-2-thiourea142229-74-150 % similar 4-Trifluoromethoxybenzoyl chloride36823-88-846 % similar 4-(Trifluoromethoxy)phenylhydrazine hydrochloride133115-72-744 % similar Triflumuron64628-44-044 % similar 3-Oxo-3-[4-(trifluoromethoxy)phenyl]propanenitrile122454-46-043 % similar

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

Same formula

Ethyl 3-chloro-5-(trifluoromethyl)pyridine-2-carboxylate128073-16-5 N-(4-Chloro-2-(trifluoromethoxy)phenyl)acetamide175278-36-1

Elsewhere

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