1-[2-(4-fluorophenyl)ethyl]-3-phenylurea

C15H15FN2O — CID 808392

IUPAC1-[2-(4-fluorophenyl)ethyl]-3-phenylurea
SMILESO=C(NCCc1ccc(F)cc1)Nc1ccccc1
InChIInChI=1S/C15H15FN2O/c16-13-8-6-12(7-9-13)10-11-17-15(19)18-14-4-2-1-3-5-14/h1-9H,10-11H2,(H2,17,18,19)
InChIKeyVONQVEZCAHHYQR-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.19
Rot. Bonds4

About 1-[2-(4-fluorophenyl)ethyl]-3-phenylurea

1-[2-(4-fluorophenyl)ethyl]-3-phenylurea (PubChem CID 808392) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)ethyl]-3-phenylurea.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)ethyl]-3-phenylurea
PubChem CID808392
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name1-[2-(4-fluorophenyl)ethyl]-3-phenylurea
SMILESO=C(NCCc1ccc(F)cc1)Nc1ccccc1
InChIInChI=1S/C15H15FN2O/c16-13-8-6-12(7-9-13)10-11-17-15(19)18-14-4-2-1-3-5-14/h1-9H,10-11H2,(H2,17,18,19)
InChIKeyVONQVEZCAHHYQR-UHFFFAOYSA-N
XLogP3.19
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-[2-(4-fluorophenyl)ethyl]-3-phenylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-3-phenylurea?
The IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-3-phenylurea (CID 808392) is 1-[2-(4-fluorophenyl)ethyl]-3-phenylurea.
What is the SMILES notation for 1-[2-(4-fluorophenyl)ethyl]-3-phenylurea?
The canonical SMILES for 1-[2-(4-fluorophenyl)ethyl]-3-phenylurea is O=C(NCCc1ccc(F)cc1)Nc1ccccc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)ethyl]-3-phenylurea?
The InChIKey is VONQVEZCAHHYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c16-13-8-6-12(7-9-13)10-11-17-15(19)18-14-4-2-1-3-5-14/h1-9H,10-11H2,(H2,17,18,19).
What are the key properties of 1-[2-(4-fluorophenyl)ethyl]-3-phenylurea?
1-[2-(4-fluorophenyl)ethyl]-3-phenylurea has a molecular weight of 258.30 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)ethyl]-3-phenylurea is sourced from PubChem (CID 808392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).