1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[(2,5-difluorophenyl)methyl]urea

C15H10ClF5N2O — CID 74224665

IUPAC1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[(2,5-difluorophenyl)methyl]urea
SMILESO=C(NCc1cc(F)ccc1F)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C15H10ClF5N2O/c16-9-1-4-13(11(6-9)15(19,20)21)23-14(24)22-7-8-5-10(17)2-3-12(8)18/h1-6H,7H2,(H2,22,23,24)
InChIKeyOGPIEQUKMRMLTC-UHFFFAOYSA-N
MW364.70 g/mol
LogP4.96
Rot. Bonds3

About 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[(2,5-difluorophenyl)methyl]urea

1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[(2,5-difluorophenyl)methyl]urea (PubChem CID 74224665) has the molecular formula C15H10ClF5N2O and a molecular weight of 364.70 g/mol. Its IUPAC name is 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[(2,5-difluorophenyl)methyl]urea.

Molecular Properties

Compound Name1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[(2,5-difluorophenyl)methyl]urea
PubChem CID74224665
Molecular FormulaC15H10ClF5N2O
Molecular Weight364.70 g/mol
Exact Mass364.04
IUPAC Name1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[(2,5-difluorophenyl)methyl]urea
SMILESO=C(NCc1cc(F)ccc1F)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C15H10ClF5N2O/c16-9-1-4-13(11(6-9)15(19,20)21)23-14(24)22-7-8-5-10(17)2-3-12(8)18/h1-6H,7H2,(H2,22,23,24)
InChIKeyOGPIEQUKMRMLTC-UHFFFAOYSA-N
XLogP4.96
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.70
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[(2,5-difluorophenyl)methyl]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-chloro-2-(trifluoromethyl)phenyl]-3-(cyclopropylmethyl)urea
CID 3867881
1-[(2,5-difluorophenyl)methyl]-3-(2,4-dimethylphenyl)urea
CID 3714808
N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]-2-(2-fluorophenyl)acetamide
CID 113001024
N-[4-chloro-2-(trifluoromethyl)phenyl]-2,2-difluoroacetamide
CID 103603473
1-butyl-3-[4-chloro-2-(trifluoromethyl)phenyl]urea
CID 108888189
1-[2-(2-chlorophenyl)ethyl]-3-[4-chloro-2-(trifluoromethyl)phenyl]urea
CID 108900378
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(pyridin-3-ylmethyl)urea
CID 4050389
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3-methylbutyl)urea
CID 47325404
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-pentylurea
CID 108990788
1-[(4-chlorophenoxy)methyl]-3-[4-chloro-2-(trifluoromethyl)phenyl]urea
CID 108885341
1-tert-butyl-3-[4-chloro-2-(trifluoromethyl)phenyl]urea
CID 108896918
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2-methylphenyl)acetamide
CID 17168115

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[(2,5-difluorophenyl)methyl]urea?
The IUPAC name of 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[(2,5-difluorophenyl)methyl]urea (CID 74224665) is 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[(2,5-difluorophenyl)methyl]urea.
What is the SMILES notation for 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[(2,5-difluorophenyl)methyl]urea?
The canonical SMILES for 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[(2,5-difluorophenyl)methyl]urea is O=C(NCc1cc(F)ccc1F)Nc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[(2,5-difluorophenyl)methyl]urea?
The InChIKey is OGPIEQUKMRMLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF5N2O/c16-9-1-4-13(11(6-9)15(19,20)21)23-14(24)22-7-8-5-10(17)2-3-12(8)18/h1-6H,7H2,(H2,22,23,24).
What are the key properties of 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[(2,5-difluorophenyl)methyl]urea?
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[(2,5-difluorophenyl)methyl]urea has a molecular weight of 364.70 g/mol, XLogP of 4.96, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[(2,5-difluorophenyl)methyl]urea is sourced from PubChem (CID 74224665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).