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

C15H12ClF3N2O — CID 16654156

IUPAC1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C15H12ClF3N2O/c1-9-4-2-3-5-13(9)21-14(22)20-10-6-7-12(16)11(8-10)15(17,18)19/h2-8H,1H3,(H2,20,21,22)
InChIKeySCKXOOJZTRQSHD-UHFFFAOYSA-N
MW328.72 g/mol
LogP5.31
Rot. Bonds2

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

1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-methylphenyl)urea (PubChem CID 16654156) has the molecular formula C15H12ClF3N2O and a molecular weight of 328.72 g/mol. Its IUPAC name is 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-methylphenyl)urea
PubChem CID16654156
Molecular FormulaC15H12ClF3N2O
Molecular Weight328.72 g/mol
Exact Mass328.06
IUPAC Name1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C15H12ClF3N2O/c1-9-4-2-3-5-13(9)21-14(22)20-10-6-7-12(16)11(8-10)15(17,18)19/h2-8H,1H3,(H2,20,21,22)
InChIKeySCKXOOJZTRQSHD-UHFFFAOYSA-N
XLogP5.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.72
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-chloro-2-methylphenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 98000868
1-(3,4-dichlorophenyl)-3-(2-methylphenyl)urea
CID 769282
N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide
CID 78811709
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methylphenyl)urea
CID 108894207
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-hydroxy-3-(trifluoromethyl)phenyl]urea
CID 19433222
1-(4-amino-2-chlorophenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 127573768
1-[5-[(6-chloro-2-methylpyrimidin-4-yl)amino]-2-methylphenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 70673707
3-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-methylphenoxy]benzoic acid
CID 56836646
N'-(4-chloro-2-methylphenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide
CID 108515804
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3,5-dihydroxyphenyl)urea
CID 108895420
1-(3-chloro-4-fluorophenyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 46859814
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-fluoro-2-methyl-1,3-benzodioxol-4-yl)urea
CID 170288112

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-methylphenyl)urea?
The IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-methylphenyl)urea (CID 16654156) is 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-methylphenyl)urea?
The canonical SMILES for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-methylphenyl)urea is Cc1ccccc1NC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-methylphenyl)urea?
The InChIKey is SCKXOOJZTRQSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N2O/c1-9-4-2-3-5-13(9)21-14(22)20-10-6-7-12(16)11(8-10)15(17,18)19/h2-8H,1H3,(H2,20,21,22).
What are the key properties of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-methylphenyl)urea?
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-methylphenyl)urea has a molecular weight of 328.72 g/mol, XLogP of 5.31, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-methylphenyl)urea is sourced from PubChem (CID 16654156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).