1-(3,4-dichlorophenyl)-3-(3,5-dichlorophenyl)urea

C13H8Cl4N2O — CID 989142

IUPAC1-(3,4-dichlorophenyl)-3-(3,5-dichlorophenyl)urea
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H8Cl4N2O/c14-7-3-8(15)5-10(4-7)19-13(20)18-9-1-2-11(16)12(17)6-9/h1-6H,(H2,18,19,20)
InChIKeyIMDDDJBDFZQNJH-UHFFFAOYSA-N
MW350.03 g/mol
LogP5.94
Rot. Bonds2

About 1-(3,4-dichlorophenyl)-3-(3,5-dichlorophenyl)urea

1-(3,4-dichlorophenyl)-3-(3,5-dichlorophenyl)urea (PubChem CID 989142) has the molecular formula C13H8Cl4N2O and a molecular weight of 350.03 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(3,5-dichlorophenyl)urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-(3,5-dichlorophenyl)urea
PubChem CID989142
Molecular FormulaC13H8Cl4N2O
Molecular Weight350.03 g/mol
Exact Mass347.94
IUPAC Name1-(3,4-dichlorophenyl)-3-(3,5-dichlorophenyl)urea
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H8Cl4N2O/c14-7-3-8(15)5-10(4-7)19-13(20)18-9-1-2-11(16)12(17)6-9/h1-6H,(H2,18,19,20)
InChIKeyIMDDDJBDFZQNJH-UHFFFAOYSA-N
XLogP5.94
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.03
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-(3,5-dichlorophenyl)urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-(3,5-dichlorophenyl)urea (CID 989142) is 1-(3,4-dichlorophenyl)-3-(3,5-dichlorophenyl)urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-(3,5-dichlorophenyl)urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(3,5-dichlorophenyl)urea is O=C(Nc1cc(Cl)cc(Cl)c1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-(3,5-dichlorophenyl)urea?
The InChIKey is IMDDDJBDFZQNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl4N2O/c14-7-3-8(15)5-10(4-7)19-13(20)18-9-1-2-11(16)12(17)6-9/h1-6H,(H2,18,19,20).
What are the key properties of 1-(3,4-dichlorophenyl)-3-(3,5-dichlorophenyl)urea?
1-(3,4-dichlorophenyl)-3-(3,5-dichlorophenyl)urea has a molecular weight of 350.03 g/mol, XLogP of 5.94, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-(3,5-dichlorophenyl)urea is sourced from PubChem (CID 989142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).