1-(4-chlorophenyl)-3-[2-(2-fluorophenyl)ethyl]urea

C15H14ClFN2O — CID 27870703

IUPAC1-(4-chlorophenyl)-3-[2-(2-fluorophenyl)ethyl]urea
SMILESO=C(NCCc1ccccc1F)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H14ClFN2O/c16-12-5-7-13(8-6-12)19-15(20)18-10-9-11-3-1-2-4-14(11)17/h1-8H,9-10H2,(H2,18,19,20)
InChIKeyYMCUWSJHBAMJQK-UHFFFAOYSA-N
MW292.74 g/mol
LogP3.84
Rot. Bonds4

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

1-(4-chlorophenyl)-3-[2-(2-fluorophenyl)ethyl]urea (PubChem CID 27870703) has the molecular formula C15H14ClFN2O and a molecular weight of 292.74 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[2-(2-fluorophenyl)ethyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[2-(2-fluorophenyl)ethyl]urea
PubChem CID27870703
Molecular FormulaC15H14ClFN2O
Molecular Weight292.74 g/mol
Exact Mass292.08
IUPAC Name1-(4-chlorophenyl)-3-[2-(2-fluorophenyl)ethyl]urea
SMILESO=C(NCCc1ccccc1F)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H14ClFN2O/c16-12-5-7-13(8-6-12)19-15(20)18-10-9-11-3-1-2-4-14(11)17/h1-8H,9-10H2,(H2,18,19,20)
InChIKeyYMCUWSJHBAMJQK-UHFFFAOYSA-N
XLogP3.84
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-(4-chlorophenyl)-3-[2-(2-fluorophenyl)ethyl]urea 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-(4-chlorophenyl)-3-[2-(2-fluorophenyl)ethyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[2-(2-fluorophenyl)ethyl]urea (CID 27870703) is 1-(4-chlorophenyl)-3-[2-(2-fluorophenyl)ethyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[2-(2-fluorophenyl)ethyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[2-(2-fluorophenyl)ethyl]urea is O=C(NCCc1ccccc1F)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[2-(2-fluorophenyl)ethyl]urea?
The InChIKey is YMCUWSJHBAMJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O/c16-12-5-7-13(8-6-12)19-15(20)18-10-9-11-3-1-2-4-14(11)17/h1-8H,9-10H2,(H2,18,19,20).
What are the key properties of 1-(4-chlorophenyl)-3-[2-(2-fluorophenyl)ethyl]urea?
1-(4-chlorophenyl)-3-[2-(2-fluorophenyl)ethyl]urea has a molecular weight of 292.74 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[2-(2-fluorophenyl)ethyl]urea is sourced from PubChem (CID 27870703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).