N-(2-Chloro-4-fluorophenyl)acetamide

C₈H₇ClFNOCAS 399-35-9187.60 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₇ClFNO
Molar mass: 187.60 g/mol
Exact mass: 187.0200 Da
Melting point: 114–115.5 °C
logP: 3.09Crippen estimate
Polar surface area: 32.6 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Identifiers

CAS number

399-35-9

SMILES

CC(O)=Nc1ccc(F)cc1Cl

InChIKey

ZULZFLOGABTQFR-UHFFFAOYSA-N

InChI

InChI=1S/C8H7ClFNO/c1-5(12)11-8-3-2-6(10)4-7(8)9/h2-4H,1H3,(H,11,12)

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Names and synonyms

3 names

Acetamide, N-(2-chloro-4-fluorophenyl)-
Acetanilide, 2′-chloro-4′-fluoro-
2-Chloro-4-fluoroacetanilide

Work with N-(2-Chloro-4-fluorophenyl)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-(2,4-Dichlorophenyl)acetamide6975-29-768 % similar N-(2,4-Difluorophenyl)acetamide399-36-066 % similar N-(2-Bromo-4-fluorophenyl)acetamide1009-22-962 % similar N-(2-Chlorophenyl)acetamide533-17-562 % similar N-(3-Fluorophenyl)acetamide351-28-056 % similar 2-(Acetylamino)-4-fluorobenzoic acid394-27-454 % similar N-(3-Chloro-2-methylphenyl)acetamide7463-35-653 % similar N-(4-Fluorophenyl)acetamide351-83-751 % similar

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

Same formula

2-Chloro-N-(2-fluorophenyl)acetamide347-66-0 N-(4-Chloro-2-fluorophenyl)acetamide59280-70-5

Elsewhere

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