4'-Chloro-2'-fluoroacetanilide

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

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation80% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

4 names

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

Work with 4'-Chloro-2'-fluoroacetanilide

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 2-Acetamido-5-chlorobenzoic Acid Methyl Ester20676-54-451 % 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 2-Chloro-N-(3-fluorophenyl)acetamide350-81-2 2-Chloro-N-(4-fluorophenyl)acetamide351-04-2 2'-Chloro-4'-fluoroacetanilide399-35-9

Elsewhere

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