2-(2-Fluoro-4-iodoanilino)-3,4-difluorobenzoic acid

C₁₃H₇F₃INO₂CAS 391211-97-5393.10 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Secondary amine

Properties

Molecular formula: C₁₃H₇F₃INO₂
Molar mass: 393.10 g/mol
Exact mass: 392.9474 Da
logP: 4.15Crippen estimate
Polar surface area: 49.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

391211-97-5

SMILES

C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)O

InChIKey

REMYZOSCCVDLDL-UHFFFAOYSA-N

InChI

InChI=1S/C13H7F3INO2/c14-8-3-2-7(13(19)20)12(11(8)16)18-10-4-1-6(17)5-9(10)15/h1-5,18H,(H,19,20)

Weigh it out

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Names and synonyms

1 names

2-(N-2''-Fluro-4''-iodophenyl)amino-3,4-difluoro benzoic acid

Work with 2-(2-Fluoro-4-iodoanilino)-3,4-difluorobenzoic 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

2-Fluoro-4-iodobenzoic acid124700-40-960 % similar 2-Fluoro-5-iodobenzoic acid124700-41-057 % similar N-((2R)-2,3-Dihydroxypropoxy)-3,4-difluoro-2-((2-fluoro-4-iodophenyl)amino)benzamide391210-10-957 % similar Cobimetinib934660-93-253 % similar 2,3,4-Trifluorobenzoic acid61079-72-950 % similar 3,4-Difluoro-2-methylbenzoic acid157652-31-849 % similar Pd184352212631-79-348 % similar 3,4-Difluoro-2-hydroxybenzoic acid189283-51-047 % similar

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

Elsewhere

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