1-[(4-chlorophenyl)methyl]-3-[2-(trifluoromethoxy)phenyl]urea

C15H12ClF3N2O2 — CID 3859950

IUPAC1-[(4-chlorophenyl)methyl]-3-[2-(trifluoromethoxy)phenyl]urea
SMILESO=C(NCc1ccc(Cl)cc1)Nc1ccccc1OC(F)(F)F
InChIInChI=1S/C15H12ClF3N2O2/c16-11-7-5-10(6-8-11)9-20-14(22)21-12-3-1-2-4-13(12)23-15(17,18)19/h1-8H,9H2,(H2,20,21,22)
InChIKeyNBCMQOVZHGOXIS-UHFFFAOYSA-N
MW344.72 g/mol
LogP4.56
Rot. Bonds4

About 1-[(4-chlorophenyl)methyl]-3-[2-(trifluoromethoxy)phenyl]urea

1-[(4-chlorophenyl)methyl]-3-[2-(trifluoromethoxy)phenyl]urea (PubChem CID 3859950) has the molecular formula C15H12ClF3N2O2 and a molecular weight of 344.72 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-[2-(trifluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-[2-(trifluoromethoxy)phenyl]urea
PubChem CID3859950
Molecular FormulaC15H12ClF3N2O2
Molecular Weight344.72 g/mol
Exact Mass344.05
IUPAC Name1-[(4-chlorophenyl)methyl]-3-[2-(trifluoromethoxy)phenyl]urea
SMILESO=C(NCc1ccc(Cl)cc1)Nc1ccccc1OC(F)(F)F
InChIInChI=1S/C15H12ClF3N2O2/c16-11-7-5-10(6-8-11)9-20-14(22)21-12-3-1-2-4-13(12)23-15(17,18)19/h1-8H,9H2,(H2,20,21,22)
InChIKeyNBCMQOVZHGOXIS-UHFFFAOYSA-N
XLogP4.56
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.72
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(trifluoromethoxy)phenyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 3817679
1-[(2-fluorophenyl)methyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 52595761
1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 3728140
1-[[2-(difluoromethoxy)phenyl]methyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 4995803
1-(5-chloro-2-methylphenyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 74229487
4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]butanoic acid
CID 61185657
1-[(5-fluoro-2-methylphenyl)methyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 3594769
N-[(4-fluorophenyl)methyl]-2-[2-(trifluoromethoxy)anilino]acetamide
CID 30644517
1-[(4-chlorophenyl)methyl]-3-(2-cyanophenyl)urea
CID 108899194
1-(2-hydroxy-3,3-dimethylbutyl)-3-[2-(trifluoromethoxy)phenyl]urea
CID 111431252
1-[(4-chlorophenyl)methyl]-3-(2-chloro-3-pyridinyl)urea
CID 47400753
1-(2-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea
CID 3723719

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[2-(trifluoromethoxy)phenyl]urea?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[2-(trifluoromethoxy)phenyl]urea (CID 3859950) is 1-[(4-chlorophenyl)methyl]-3-[2-(trifluoromethoxy)phenyl]urea.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-[2-(trifluoromethoxy)phenyl]urea?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-[2-(trifluoromethoxy)phenyl]urea is O=C(NCc1ccc(Cl)cc1)Nc1ccccc1OC(F)(F)F.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-[2-(trifluoromethoxy)phenyl]urea?
The InChIKey is NBCMQOVZHGOXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N2O2/c16-11-7-5-10(6-8-11)9-20-14(22)21-12-3-1-2-4-13(12)23-15(17,18)19/h1-8H,9H2,(H2,20,21,22).
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-[2-(trifluoromethoxy)phenyl]urea?
1-[(4-chlorophenyl)methyl]-3-[2-(trifluoromethoxy)phenyl]urea has a molecular weight of 344.72 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-[2-(trifluoromethoxy)phenyl]urea is sourced from PubChem (CID 3859950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).