1-(4-chlorophenyl)-3-[3-(4-fluorophenyl)phenyl]urea

C19H14ClFN2O — CID 135376751

IUPAC1-(4-chlorophenyl)-3-[3-(4-fluorophenyl)phenyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1cccc(-c2ccc(F)cc2)c1
InChIInChI=1S/C19H14ClFN2O/c20-15-6-10-17(11-7-15)22-19(24)23-18-3-1-2-14(12-18)13-4-8-16(21)9-5-13/h1-12H,(H2,22,23,24)
InChIKeyXVGAWVMMVIOVSW-UHFFFAOYSA-N
MW340.79 g/mol
LogP5.79
Rot. Bonds3

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

1-(4-chlorophenyl)-3-[3-(4-fluorophenyl)phenyl]urea (PubChem CID 135376751) has the molecular formula C19H14ClFN2O and a molecular weight of 340.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[3-(4-fluorophenyl)phenyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[3-(4-fluorophenyl)phenyl]urea
PubChem CID135376751
Molecular FormulaC19H14ClFN2O
Molecular Weight340.79 g/mol
Exact Mass340.08
IUPAC Name1-(4-chlorophenyl)-3-[3-(4-fluorophenyl)phenyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1cccc(-c2ccc(F)cc2)c1
InChIInChI=1S/C19H14ClFN2O/c20-15-6-10-17(11-7-15)22-19(24)23-18-3-1-2-14(12-18)13-4-8-16(21)9-5-13/h1-12H,(H2,22,23,24)
InChIKeyXVGAWVMMVIOVSW-UHFFFAOYSA-N
XLogP5.79
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.79
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-(4-chlorophenyl)-3-[3-(4-fluorophenyl)phenyl]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-[3-(4-fluorophenyl)phenyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[3-(4-fluorophenyl)phenyl]urea (CID 135376751) is 1-(4-chlorophenyl)-3-[3-(4-fluorophenyl)phenyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[3-(4-fluorophenyl)phenyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[3-(4-fluorophenyl)phenyl]urea is O=C(Nc1ccc(Cl)cc1)Nc1cccc(-c2ccc(F)cc2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[3-(4-fluorophenyl)phenyl]urea?
The InChIKey is XVGAWVMMVIOVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN2O/c20-15-6-10-17(11-7-15)22-19(24)23-18-3-1-2-14(12-18)13-4-8-16(21)9-5-13/h1-12H,(H2,22,23,24).
What are the key properties of 1-(4-chlorophenyl)-3-[3-(4-fluorophenyl)phenyl]urea?
1-(4-chlorophenyl)-3-[3-(4-fluorophenyl)phenyl]urea has a molecular weight of 340.79 g/mol, XLogP of 5.79, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[3-(4-fluorophenyl)phenyl]urea is sourced from PubChem (CID 135376751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).