1-(5-chloro-2-methylphenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea

C15H11Cl2F3N2O — CID 98000868

IUPAC1-(5-chloro-2-methylphenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
SMILESCc1ccc(Cl)cc1NC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C15H11Cl2F3N2O/c1-8-2-3-9(16)6-13(8)22-14(23)21-10-4-5-12(17)11(7-10)15(18,19)20/h2-7H,1H3,(H2,21,22,23)
InChIKeyMZJWABPYVGNEDY-UHFFFAOYSA-N
MW363.17 g/mol
LogP5.96
Rot. Bonds2

About 1-(5-chloro-2-methylphenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea

1-(5-chloro-2-methylphenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea (PubChem CID 98000868) has the molecular formula C15H11Cl2F3N2O and a molecular weight of 363.17 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
PubChem CID98000868
Molecular FormulaC15H11Cl2F3N2O
Molecular Weight363.17 g/mol
Exact Mass362.02
IUPAC Name1-(5-chloro-2-methylphenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
SMILESCc1ccc(Cl)cc1NC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C15H11Cl2F3N2O/c1-8-2-3-9(16)6-13(8)22-14(23)21-10-4-5-12(17)11(7-10)15(18,19)20/h2-7H,1H3,(H2,21,22,23)
InChIKeyMZJWABPYVGNEDY-UHFFFAOYSA-N
XLogP5.96
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.17
LogP ≤ 55.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-methylphenyl)urea
CID 16654156
1-[5-[(6-chloro-2-methylpyrimidin-4-yl)amino]-2-methylphenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 70673707
N'-(4-chloro-2-methylphenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide
CID 108515804
N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide
CID 78811709
1-(5-chloro-2-methylphenyl)-3-(4-methylphenyl)urea
CID 4577351
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-fluoro-4-hydroxyphenyl)urea
CID 53465158
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-chloro-2-fluorophenyl)-3-(3,4-dimethylphenyl)urea
CID 46859781
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3,5-dihydroxyphenyl)urea
CID 108895420
5-chloro-2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]benzenesulfonate
CID 4685844
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(2-methylbutan-2-ylamino)phenyl]urea
CID 71038616

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea (CID 98000868) is 1-(5-chloro-2-methylphenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea is Cc1ccc(Cl)cc1NC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea?
The InChIKey is MZJWABPYVGNEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2F3N2O/c1-8-2-3-9(16)6-13(8)22-14(23)21-10-4-5-12(17)11(7-10)15(18,19)20/h2-7H,1H3,(H2,21,22,23).
What are the key properties of 1-(5-chloro-2-methylphenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea?
1-(5-chloro-2-methylphenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea has a molecular weight of 363.17 g/mol, XLogP of 5.96, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 98000868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).