2-(Acetylamino)-4-fluorobenzoic acid

C₉H₈FNO₃CAS 394-27-4197.17 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic 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 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

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 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 N-(2-Chloro-4-fluorophenyl)acetamide399-35-954 % similar 2-Bromo-4-fluorobenzoic acid1006-41-353 % similar

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

Elsewhere

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