2-(Acetylamino)-4-fluorobenzoic acid

C9H8FNO3CAS 394-27-4197.17 g/mol

Open in Covalent MOL file
OHNFOOH
Aryl halideCarboxylic acid

Properties

Molecular formula
C9H8FNO3
Molar mass
197.17 g/mol
Exact mass
197.0488 Da
Melting point
212.5–214.5 °C
logP
2.13Crippen estimate
Polar surface area
69.9 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

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

Identifiers

CAS number
394-27-4
SMILES
CC(O)=Nc1cc(F)ccc1C(=O)O
InChIKey
FQNDKDYHEFCPRW-UHFFFAOYSA-N
InChI
InChI=1S/C9H8FNO3/c1-5(12)11-8-4-6(10)2-3-7(8)9(13)14/h2-4H,1H3,(H,11,12)(H,13,14)

Weigh it out

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

Names and synonyms

4 names
  • Benzoic acid, 2-(acetylamino)-4-fluoro-
  • Anthranilic acid, N-acetyl-4-fluoro-
  • N-Acetyl-4-fluoroanthranilic acid
  • 2-Acetamido-4-fluorobenzoic acid

Work with 2-(Acetylamino)-4-fluorobenzoic acid

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-Acetylanthranilic acid89-52-161 % similar 4-Fluorophthalic acid320-97-858 % similar 4-Fluoro-2-methylbenzoic acid321-21-156 % similar N-(2,4-Difluorophenyl)acetamide399-36-056 % similar 2,4-Difluorobenzoic acid1583-58-055 % similar 4-Fluoro-2-hydroxybenzoic acid345-29-954 % similar 2-Amino-4-fluorobenzoic acid446-32-254 % similar N-(2-Bromo-4-fluorophenyl)acetamide1009-22-954 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook