1-(4-Fluorophenyl)-3-(pyridin-2-ylmethyl)urea

HCID 882129

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Basic information

CAS: 6428-91-7
Standard SMILES: O=C(NCc1ccccn1)Nc1ccc(F)cc1
InChIKey: YZBQUCHTVDNQRH-UHFFFAOYSA-N
Molecular formula: C13H12FN3O
Average molar mass: 245.25 g/mol
Monoisotopic mass: 245.09644018

Names & identifiers

Preferred name: 1-(4-Fluorophenyl)-3-(pyridin-2-ylmethyl)urea
IUPAC: 1-(4-fluorophenyl)-3-(pyridin-2-ylmethyl)urea

Names & synonyms

1-(4-fluorophenyl)-3-(pyridin-2-ylmethyl)ureaN-(4-fluorophenyl)-N'-(2-pyridinylmethyl)urea6428-91-7SMR000070935Cambridge id 6428917Oprea1_729771MLS000062151CHEMBL1868156SCHEMBL20379728SCHEMBL30818065DTXSID70982824BDBM572825

Show more names

HMS2331G07AKOS000545936US11452717, Compound TableB-3.2AB00107561-01AI-204/31695049Z44591834N-(4-Fluorophenyl)-N'-[(pyridin-2-yl)methyl]carbamimidic acid353259-65-1

Database identifiers

CAS: 6428-91-7
PubChem CID: 882129
DTXSID: DTXSID70982824
ChEMBL: CHEMBL1868156

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 54 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 18
Formal charge: 0
Complexity: 267

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