1-(3-chloro-4-fluorophenyl)-3-[2-(trifluoromethyl)phenyl]urea

C14H9ClF4N2O — CID 46859814

IUPAC1-(3-chloro-4-fluorophenyl)-3-[2-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(F)c(Cl)c1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C14H9ClF4N2O/c15-10-7-8(5-6-11(10)16)20-13(22)21-12-4-2-1-3-9(12)14(17,18)19/h1-7H,(H2,20,21,22)
InChIKeyISAKQRCYEILCKX-UHFFFAOYSA-N
MW332.68 g/mol
LogP5.14
Rot. Bonds2

About 1-(3-chloro-4-fluorophenyl)-3-[2-(trifluoromethyl)phenyl]urea

1-(3-chloro-4-fluorophenyl)-3-[2-(trifluoromethyl)phenyl]urea (PubChem CID 46859814) has the molecular formula C14H9ClF4N2O and a molecular weight of 332.68 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3-[2-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3-[2-(trifluoromethyl)phenyl]urea
PubChem CID46859814
Molecular FormulaC14H9ClF4N2O
Molecular Weight332.68 g/mol
Exact Mass332.03
IUPAC Name1-(3-chloro-4-fluorophenyl)-3-[2-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(F)c(Cl)c1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C14H9ClF4N2O/c15-10-7-8(5-6-11(10)16)20-13(22)21-12-4-2-1-3-9(12)14(17,18)19/h1-7H,(H2,20,21,22)
InChIKeyISAKQRCYEILCKX-UHFFFAOYSA-N
XLogP5.14
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.68
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-(3-chloro-4-fluorophenyl)-3-[2-(trifluoromethyl)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

Related Compounds

1-(4-chlorophenyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 727784
1-(3-chloro-4-fluorophenyl)-3-(2-hydroxyphenyl)urea
CID 108871538
N'-(2-tert-butylphenyl)-N-(3-chloro-4-fluorophenyl)propanediamide
CID 108954633
1-(3-chloro-4-fluorophenyl)-3-(3-chlorophenyl)urea
CID 742623
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-methylphenyl)urea
CID 16654156
1-(3-chloro-4-fluorophenyl)-3-(3-fluorophenyl)urea
CID 108893983
1-(3-iodophenyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 61400274
1-(2-fluoro-5-methylphenyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 46859836
1-(3-chloro-4-fluorophenyl)-3-(1H-indol-3-yl)urea
CID 7616069
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-sulfanylphenyl)urea
CID 108886509
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methylphenyl)urea
CID 108894207
1-(5-chloro-2-methylphenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 98000868

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-[2-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-[2-(trifluoromethyl)phenyl]urea (CID 46859814) is 1-(3-chloro-4-fluorophenyl)-3-[2-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3-[2-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3-[2-(trifluoromethyl)phenyl]urea is O=C(Nc1ccc(F)c(Cl)c1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3-[2-(trifluoromethyl)phenyl]urea?
The InChIKey is ISAKQRCYEILCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF4N2O/c15-10-7-8(5-6-11(10)16)20-13(22)21-12-4-2-1-3-9(12)14(17,18)19/h1-7H,(H2,20,21,22).
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3-[2-(trifluoromethyl)phenyl]urea?
1-(3-chloro-4-fluorophenyl)-3-[2-(trifluoromethyl)phenyl]urea has a molecular weight of 332.68 g/mol, XLogP of 5.14, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-3-[2-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 46859814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).