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

C16H14ClF3N2O2 — CID 70681468

IUPAC1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-(2-hydroxyethyl)phenyl]urea
SMILESO=C(Nc1cccc(CCO)c1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C16H14ClF3N2O2/c17-14-5-4-12(9-13(14)16(18,19)20)22-15(24)21-11-3-1-2-10(8-11)6-7-23/h1-5,8-9,23H,6-7H2,(H2,21,22,24)
InChIKeyBKCXLZYKRXUEKU-UHFFFAOYSA-N
MW358.75 g/mol
LogP4.54
Rot. Bonds4

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

1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-(2-hydroxyethyl)phenyl]urea (PubChem CID 70681468) has the molecular formula C16H14ClF3N2O2 and a molecular weight of 358.75 g/mol. Its IUPAC name is 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-(2-hydroxyethyl)phenyl]urea.

Molecular Properties

Compound Name1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-(2-hydroxyethyl)phenyl]urea
PubChem CID70681468
Molecular FormulaC16H14ClF3N2O2
Molecular Weight358.75 g/mol
Exact Mass358.07
IUPAC Name1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-(2-hydroxyethyl)phenyl]urea
SMILESO=C(Nc1cccc(CCO)c1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C16H14ClF3N2O2/c17-14-5-4-12(9-13(14)16(18,19)20)22-15(24)21-11-3-1-2-10(8-11)6-7-23/h1-5,8-9,23H,6-7H2,(H2,21,22,24)
InChIKeyBKCXLZYKRXUEKU-UHFFFAOYSA-N
XLogP4.54
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.75
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-(2-hydroxyethyl)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

Halocarban
CID 9719
1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 4532427
1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 9800250
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[7-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]urea
CID 59666298
1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-[2-(2-hydroxyethyl)-3-methylphenyl]urea
CID 60021981
1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-[2-(2-hydroxyethyl)phenyl]urea
CID 60022072
1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-[2-(3-hydroxypropyl)phenyl]urea
CID 70685694
1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-[2-(hydroxymethyl)phenyl]urea
CID 70685695
1-(5-Chloro-2-hydroxymethylphenyl)-3-(3-trifluoromethylphenyl)urea
CID 11739445
1-[2-Chloro-5-(trifluoromethyl)phenyl]-3-[4-(2-hydroxyethyl)phenyl]urea
CID 310377
1-(4-Chlorophenyl)-3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]urea
CID 2223332
N-[4-(2-hydroxyethyl)phenyl]-N'-[3-(trifluoromethyl)phenyl]urea
CID 4253047

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-(2-hydroxyethyl)phenyl]urea?
The IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-(2-hydroxyethyl)phenyl]urea (CID 70681468) is 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-(2-hydroxyethyl)phenyl]urea.
What is the SMILES notation for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-(2-hydroxyethyl)phenyl]urea?
The canonical SMILES for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-(2-hydroxyethyl)phenyl]urea is O=C(Nc1cccc(CCO)c1)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-(2-hydroxyethyl)phenyl]urea?
The InChIKey is BKCXLZYKRXUEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF3N2O2/c17-14-5-4-12(9-13(14)16(18,19)20)22-15(24)21-11-3-1-2-10(8-11)6-7-23/h1-5,8-9,23H,6-7H2,(H2,21,22,24).
What are the key properties of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-(2-hydroxyethyl)phenyl]urea?
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-(2-hydroxyethyl)phenyl]urea has a molecular weight of 358.75 g/mol, XLogP of 4.54, 4 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-[3-(2-hydroxyethyl)phenyl]urea is sourced from PubChem (CID 70681468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).