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

C14H8Cl3F3N2O — CID 1188013

IUPAC1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3,4-dichlorophenyl)urea
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C14H8Cl3F3N2O/c15-10-3-1-7(5-9(10)14(18,19)20)21-13(23)22-8-2-4-11(16)12(17)6-8/h1-6H,(H2,21,22,23)
InChIKeyMVMXTBDUXJGRAR-UHFFFAOYSA-N
MW383.58 g/mol
LogP6.31
Rot. Bonds2

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

1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3,4-dichlorophenyl)urea (PubChem CID 1188013) has the molecular formula C14H8Cl3F3N2O and a molecular weight of 383.58 g/mol. Its IUPAC name is 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3,4-dichlorophenyl)urea.

Molecular Properties

Compound Name1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3,4-dichlorophenyl)urea
PubChem CID1188013
Molecular FormulaC14H8Cl3F3N2O
Molecular Weight383.58 g/mol
Exact Mass381.97
IUPAC Name1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3,4-dichlorophenyl)urea
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C14H8Cl3F3N2O/c15-10-3-1-7(5-9(10)14(18,19)20)21-13(23)22-8-2-4-11(16)12(17)6-8/h1-6H,(H2,21,22,23)
InChIKeyMVMXTBDUXJGRAR-UHFFFAOYSA-N
XLogP6.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.58
LogP ≤ 56.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3,4-dichlorophenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3,4-dichlorophenyl)urea?
The IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3,4-dichlorophenyl)urea (CID 1188013) is 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3,4-dichlorophenyl)urea.
What is the SMILES notation for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3,4-dichlorophenyl)urea?
The canonical SMILES for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3,4-dichlorophenyl)urea is O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3,4-dichlorophenyl)urea?
The InChIKey is MVMXTBDUXJGRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl3F3N2O/c15-10-3-1-7(5-9(10)14(18,19)20)21-13(23)22-8-2-4-11(16)12(17)6-8/h1-6H,(H2,21,22,23).
What are the key properties of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3,4-dichlorophenyl)urea?
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3,4-dichlorophenyl)urea has a molecular weight of 383.58 g/mol, XLogP of 6.31, 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-(3,4-dichlorophenyl)urea is sourced from PubChem (CID 1188013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).