1-(3-chlorophenyl)-3-(4-chlorophenyl)urea

C13H10Cl2N2O — CID 791964

IUPAC1-(3-chlorophenyl)-3-(4-chlorophenyl)urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1cccc(Cl)c1
InChIInChI=1S/C13H10Cl2N2O/c14-9-4-6-11(7-5-9)16-13(18)17-12-3-1-2-10(15)8-12/h1-8H,(H2,16,17,18)
InChIKeyWEGKFRNBRWVJKT-UHFFFAOYSA-N
MW281.14 g/mol
LogP4.64
Rot. Bonds2

About 1-(3-chlorophenyl)-3-(4-chlorophenyl)urea

1-(3-chlorophenyl)-3-(4-chlorophenyl)urea (PubChem CID 791964) has the molecular formula C13H10Cl2N2O and a molecular weight of 281.14 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(4-chlorophenyl)urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(4-chlorophenyl)urea
PubChem CID791964
Molecular FormulaC13H10Cl2N2O
Molecular Weight281.14 g/mol
Exact Mass280.02
IUPAC Name1-(3-chlorophenyl)-3-(4-chlorophenyl)urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1cccc(Cl)c1
InChIInChI=1S/C13H10Cl2N2O/c14-9-4-6-11(7-5-9)16-13(18)17-12-3-1-2-10(15)8-12/h1-8H,(H2,16,17,18)
InChIKeyWEGKFRNBRWVJKT-UHFFFAOYSA-N
XLogP4.64
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.14
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(4-chlorophenyl)urea?
The IUPAC name of 1-(3-chlorophenyl)-3-(4-chlorophenyl)urea (CID 791964) is 1-(3-chlorophenyl)-3-(4-chlorophenyl)urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(4-chlorophenyl)urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-(4-chlorophenyl)urea is O=C(Nc1ccc(Cl)cc1)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(4-chlorophenyl)urea?
The InChIKey is WEGKFRNBRWVJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O/c14-9-4-6-11(7-5-9)16-13(18)17-12-3-1-2-10(15)8-12/h1-8H,(H2,16,17,18).
What are the key properties of 1-(3-chlorophenyl)-3-(4-chlorophenyl)urea?
1-(3-chlorophenyl)-3-(4-chlorophenyl)urea has a molecular weight of 281.14 g/mol, XLogP of 4.64, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(4-chlorophenyl)urea is sourced from PubChem (CID 791964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).