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

C14H9Cl2F3N2O — CID 9719

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IUPAC1-(4-chlorophenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C14H9Cl2F3N2O/c15-8-1-3-9(4-2-8)20-13(22)21-10-5-6-12(16)11(7-10)14(17,18)19/h1-7H,(H2,20,21,22)
InChIKeyZFSXZJXLKAJIGS-UHFFFAOYSA-N
MW349.14 g/mol
LogP5.66
Rot. Bonds2

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

1-(4-chlorophenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea (PubChem CID 9719) has the molecular formula C14H9Cl2F3N2O and a molecular weight of 349.14 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
PubChem CID9719
Molecular FormulaC14H9Cl2F3N2O
Molecular Weight349.14 g/mol
Exact Mass348.00
IUPAC Name1-(4-chlorophenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C14H9Cl2F3N2O/c15-8-1-3-9(4-2-8)20-13(22)21-10-5-6-12(16)11(7-10)14(17,18)19/h1-7H,(H2,20,21,22)
InChIKeyZFSXZJXLKAJIGS-UHFFFAOYSA-N
XLogP5.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.14
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4,4'-Dichlorocarbanilide
CID 94996
N-(3-Chlorophenyl)-N'-(4-chlorophenyl)urea
CID 791964
Flucofuron
CID 67788
1-Phenyl-3-(3-(trifluoromethyl)phenyl)urea
CID 265996
1-[(4-Chlorophenyl)methyl]-3-phenylurea
CID 4150009
N-(4-chlorophenethyl)-N'-(4-chlorophenyl)urea
CID 2805176
1-(3-Chloro-para-tolyl)-urea
CID 25741
1-(3,5-Dichloro-phenyl)-3-(3-trifluoromethyl-phenyl)-urea
CID 4163404
1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 4532427
N,N'-Di-(m-trifluoromethylphenyl)urea
CID 136250
1-(2-Chlorophenyl)-3-(P-tolyl)urea
CID 295010
1-(4-Chlorophenyl)-3-(P-tolyl)urea
CID 730414

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea (CID 9719) is 1-(4-chlorophenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea is O=C(Nc1ccc(Cl)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea?
The InChIKey is ZFSXZJXLKAJIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2F3N2O/c15-8-1-3-9(4-2-8)20-13(22)21-10-5-6-12(16)11(7-10)14(17,18)19/h1-7H,(H2,20,21,22).
What are the key properties of 1-(4-chlorophenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea?
1-(4-chlorophenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea has a molecular weight of 349.14 g/mol, XLogP of 5.66, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 9719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).