1-benzyl-3-(4-chlorophenyl)-1-phenylurea

C20H17ClN2O — CID 841674

IUPAC1-benzyl-3-(4-chlorophenyl)-1-phenylurea
SMILESO=C(Nc1ccc(Cl)cc1)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C20H17ClN2O/c21-17-11-13-18(14-12-17)22-20(24)23(19-9-5-2-6-10-19)15-16-7-3-1-4-8-16/h1-14H,15H2,(H,22,24)
InChIKeyIZWWJRVFQMCOGC-UHFFFAOYSA-N
MW336.82 g/mol
LogP5.58
Rot. Bonds4

About 1-benzyl-3-(4-chlorophenyl)-1-phenylurea

1-benzyl-3-(4-chlorophenyl)-1-phenylurea (PubChem CID 841674) has the molecular formula C20H17ClN2O and a molecular weight of 336.82 g/mol. Its IUPAC name is 1-benzyl-3-(4-chlorophenyl)-1-phenylurea.

Molecular Properties

Compound Name1-benzyl-3-(4-chlorophenyl)-1-phenylurea
PubChem CID841674
Molecular FormulaC20H17ClN2O
Molecular Weight336.82 g/mol
Exact Mass336.10
IUPAC Name1-benzyl-3-(4-chlorophenyl)-1-phenylurea
SMILESO=C(Nc1ccc(Cl)cc1)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C20H17ClN2O/c21-17-11-13-18(14-12-17)22-20(24)23(19-9-5-2-6-10-19)15-16-7-3-1-4-8-16/h1-14H,15H2,(H,22,24)
InChIKeyIZWWJRVFQMCOGC-UHFFFAOYSA-N
XLogP5.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.82
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(4-chlorophenyl)-1-phenylurea?
The IUPAC name of 1-benzyl-3-(4-chlorophenyl)-1-phenylurea (CID 841674) is 1-benzyl-3-(4-chlorophenyl)-1-phenylurea.
What is the SMILES notation for 1-benzyl-3-(4-chlorophenyl)-1-phenylurea?
The canonical SMILES for 1-benzyl-3-(4-chlorophenyl)-1-phenylurea is O=C(Nc1ccc(Cl)cc1)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzyl-3-(4-chlorophenyl)-1-phenylurea?
The InChIKey is IZWWJRVFQMCOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O/c21-17-11-13-18(14-12-17)22-20(24)23(19-9-5-2-6-10-19)15-16-7-3-1-4-8-16/h1-14H,15H2,(H,22,24).
What are the key properties of 1-benzyl-3-(4-chlorophenyl)-1-phenylurea?
1-benzyl-3-(4-chlorophenyl)-1-phenylurea has a molecular weight of 336.82 g/mol, XLogP of 5.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-chlorophenyl)-1-phenylurea is sourced from PubChem (CID 841674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).