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

C₈H₇ClFNOCAS 59280-70-5187.60 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₇ClFNO
Molar mass: 187.60 g/mol
Exact mass: 187.0200 Da
Melting point: 47–50 °C
logP: 3.09Crippen estimate
Polar surface area: 32.6 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Identifiers

CAS number

59280-70-5

SMILES

CC(O)=Nc1ccc(Cl)cc1F

InChIKey

GVRKNSAEOVXHOS-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

3 names

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

Work with N-(4-Chloro-2-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-Difluorophenyl)acetamide399-36-068 % similar N-(2,4-Dichlorophenyl)acetamide6975-29-765 % similar N-(4-Bromo-2-fluorophenyl)acetamide326-66-964 % similar 2′-Fluoroacetanilide399-31-559 % similar N-(4-Chlorophenyl)acetamide539-03-753 % similar N-(3-Chlorophenyl)acetamide588-07-853 % similar Methyl 2-(acetylamino)-5-chlorobenzoate20676-54-451 % similar N-(2-Chlorophenyl)acetamide533-17-550 % similar

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

Same formula

2-Chloro-N-(2-fluorophenyl)acetamide347-66-0 N-(2-Chloro-4-fluorophenyl)acetamide399-35-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook