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

C15H12ClF3N2O2 — CID 70685695

IUPAC1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-(hydroxymethyl)phenyl]urea
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1ccccc1CO
InChIInChI=1S/C15H12ClF3N2O2/c16-12-6-5-10(7-11(12)15(17,18)19)20-14(23)21-13-4-2-1-3-9(13)8-22/h1-7,22H,8H2,(H2,20,21,23)
InChIKeyRTJKVGVMDMKVEQ-UHFFFAOYSA-N
MW344.72 g/mol
LogP4.50
Rot. Bonds3

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

1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-(hydroxymethyl)phenyl]urea (PubChem CID 70685695) has the molecular formula C15H12ClF3N2O2 and a molecular weight of 344.72 g/mol. Its IUPAC name is 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-(hydroxymethyl)phenyl]urea.

Molecular Properties

Compound Name1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-(hydroxymethyl)phenyl]urea
PubChem CID70685695
Molecular FormulaC15H12ClF3N2O2
Molecular Weight344.72 g/mol
Exact Mass344.05
IUPAC Name1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-(hydroxymethyl)phenyl]urea
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1ccccc1CO
InChIInChI=1S/C15H12ClF3N2O2/c16-12-6-5-10(7-11(12)15(17,18)19)20-14(23)21-13-4-2-1-3-9(13)8-22/h1-7,22H,8H2,(H2,20,21,23)
InChIKeyRTJKVGVMDMKVEQ-UHFFFAOYSA-N
XLogP4.50
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.72
LogP ≤ 54.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-(hydroxymethyl)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-chloro-3-(trifluoromethyl)phenyl]-3-[2-(hydroxymethyl)phenyl]urea?
The IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-(hydroxymethyl)phenyl]urea (CID 70685695) is 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-(hydroxymethyl)phenyl]urea.
What is the SMILES notation for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-(hydroxymethyl)phenyl]urea?
The canonical SMILES for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-(hydroxymethyl)phenyl]urea is O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1ccccc1CO.
What is the InChIKey of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-(hydroxymethyl)phenyl]urea?
The InChIKey is RTJKVGVMDMKVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N2O2/c16-12-6-5-10(7-11(12)15(17,18)19)20-14(23)21-13-4-2-1-3-9(13)8-22/h1-7,22H,8H2,(H2,20,21,23).
What are the key properties of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-(hydroxymethyl)phenyl]urea?
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-(hydroxymethyl)phenyl]urea has a molecular weight of 344.72 g/mol, XLogP of 4.50, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-(hydroxymethyl)phenyl]urea is sourced from PubChem (CID 70685695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).