1-(4-Fluorophenylcarbamoyl)cyclopropanecarboxylic acid

C₁₁H₁₀FNO₃CAS 849217-48-7223.20 g/mol

Open in Covalent MOL file

Amide Aryl halide Carboxylic acid

Properties

Molecular formula: C₁₁H₁₀FNO₃
Molar mass: 223.20 g/mol
Exact mass: 223.0645 Da
logP: 1.63Crippen estimate
Polar surface area: 66.4 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

849217-48-7

SMILES

C1CC1(C(=O)NC2=CC=C(C=C2)F)C(=O)O

InChIKey

PFMAFXYUHZDKPY-UHFFFAOYSA-N

InChI

InChI=1S/C11H10FNO3/c12-7-1-3-8(4-2-7)13-9(14)11(5-6-11)10(15)16/h1-4H,5-6H2,(H,13,14)(H,15,16)

Weigh it out

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

Names and synonyms

1 names

1-[(4-Fluorophenyl)carbamoyl]cyclopropanecarboxylic Acid

Work with 1-(4-Fluorophenylcarbamoyl)cyclopropanecarboxylic 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-Chloro-N-(4-fluorophenyl)acetamide351-04-243 % similar Cabozantinib849217-68-143 % similar 4-[(4-Fluorophenyl)amino]-4-oxo-2-butenoic acid60252-79-142 % similar 1,1-Cyclopropanedicarboxylic acid598-10-741 % similar (2E)-N-(4-Fluorophenyl)-2-(hydroxyimino)acetamide351-09-740 % similar 1-(4-Fluorobenzyl)piperazine 2,2,2-trifluoroacetate435345-45-238 % similar Cabozantinib S-malate1140909-48-337 % similar Dipropylmalonic acid1636-27-736 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook