1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)ethyl]urea

C15H14Cl2N2O — CID 2805176

IUPAC1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)ethyl]urea
SMILESO=C(NCCc1ccc(Cl)cc1)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H14Cl2N2O/c16-12-3-1-11(2-4-12)9-10-18-15(20)19-14-7-5-13(17)6-8-14/h1-8H,9-10H2,(H2,18,19,20)
InChIKeyCKQWOBMVIXJPHC-UHFFFAOYSA-N
MW309.20 g/mol
LogP4.36
Rot. Bonds4

About 1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)ethyl]urea

1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)ethyl]urea (PubChem CID 2805176) has the molecular formula C15H14Cl2N2O and a molecular weight of 309.20 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)ethyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)ethyl]urea
PubChem CID2805176
Molecular FormulaC15H14Cl2N2O
Molecular Weight309.20 g/mol
Exact Mass308.05
IUPAC Name1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)ethyl]urea
SMILESO=C(NCCc1ccc(Cl)cc1)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H14Cl2N2O/c16-12-3-1-11(2-4-12)9-10-18-15(20)19-14-7-5-13(17)6-8-14/h1-8H,9-10H2,(H2,18,19,20)
InChIKeyCKQWOBMVIXJPHC-UHFFFAOYSA-N
XLogP4.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)ethyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)ethyl]urea (CID 2805176) is 1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)ethyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)ethyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)ethyl]urea is O=C(NCCc1ccc(Cl)cc1)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)ethyl]urea?
The InChIKey is CKQWOBMVIXJPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O/c16-12-3-1-11(2-4-12)9-10-18-15(20)19-14-7-5-13(17)6-8-14/h1-8H,9-10H2,(H2,18,19,20).
What are the key properties of 1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)ethyl]urea?
1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)ethyl]urea has a molecular weight of 309.20 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)ethyl]urea is sourced from PubChem (CID 2805176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).