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

C₈H₇BrFNOCAS 1009-22-9232.05 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₈H₇BrFNO
Molar mass: 232.05 g/mol
Exact mass: 230.9695 Da
Melting point: 119–120 °C
logP: 3.20Crippen estimate
Polar surface area: 32.6 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed86.7% of notifiers
H302 Harmful if swallowed11.1% of notifiers
H311 Toxic in contact with skin86.7% of notifiers
H315 Causes skin irritation97.8% of notifiers
H319 Causes serious eye irritation97.8% of notifiers
H331 Toxic if inhaled86.7% of notifiers
H335 May cause respiratory irritation95.6% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1009-22-9

SMILES

CC(O)=Nc1ccc(F)cc1Br

InChIKey

JAVSBNOXENOHEI-UHFFFAOYSA-N

InChI

InChI=1S/C8H7BrFNO/c1-5(12)11-8-3-2-6(10)4-7(8)9/h2-4H,1H3,(H,11,12)

Weigh it out

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

Names and synonyms

5 names

Acetamide, N-(2-bromo-4-fluorophenyl)-
Acetanilide, 2′-bromo-4′-fluoro-
N-2-Bromo-4-fluorophenylacetamide
2′-Bromo-4′-fluoroacetanilide
2-Bromo-4-fluoroacetanilide

Work with N-(2-Bromo-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-Difluorophenyl)acetamide399-36-066 % similar N-(2-Bromo-4-methylphenyl)acetamide614-83-564 % similar 2'-Chloro-4'-fluoroacetanilide399-35-962 % similar N-(2-Bromophenyl)acetamide614-76-659 % similar 2-(Acetylamino)-4-fluorobenzoic acid394-27-454 % similar N-(4-Fluorophenyl)acetamide351-83-751 % similar N-(3-Fluorophenyl)acetamide351-28-051 % similar N-(4-Bromo-2-methylphenyl)acetamide24106-05-651 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-(4-Bromo-2-fluorophenyl)acetamide326-66-9 4-Bromo-2-fluoro-N-methylbenzamide749927-69-3

Elsewhere

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