4-Fluorobenzylurea

C₈H₉FN₂OCAS 76523-24-5168.17 g/mol

Open in Covalent MOL file

Aryl halide Urea

Properties

Molecular formula: C₈H₉FN₂O
Molar mass: 168.17 g/mol
Exact mass: 168.0699 Da
logP: 0.99Crippen estimate
Polar surface area: 55.1 Å²
H-bond donors / acceptors: 2 / 1
Rotatable bonds: 2

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

76523-24-5

SMILES

C1=CC(=CC=C1CNC(=O)N)F

InChIKey

ISIFPVOJHJASJW-UHFFFAOYSA-N

InChI

InChI=1S/C8H9FN2O/c9-7-3-1-6(2-4-7)5-11-8(10)12/h1-4H,5H2,(H3,10,11,12)

Weigh it out

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Work with 4-Fluorobenzylurea

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

(4-Fluorophenyl)acetone459-03-046 % similar 4-Fluoro-N-methylbenzenemethanamine405-66-345 % similar N-(2-Fluoro-6-(trifluoromethyl)benzyl)urea830346-46-843 % similar 4-Fluorobenzamide824-75-942 % similar (4-Fluorophenyl)acetic acid405-50-542 % similar 2-(4-Fluorophenyl)acetyl chloride459-04-142 % similar 4-Fluorobenzylamine140-75-041 % similar 2-(4-Fluorobenzylamino)ethanol22116-33-241 % similar

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

Same formula

3-Fluoro-4-methylbenzamide oxime238742-80-8 4-Amino-2-fluoro-N-methylbenzamide915087-25-1

Elsewhere

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