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

C21H19ClN2O — CID 3436734

IUPAC1,1-dibenzyl-3-(4-chlorophenyl)urea
SMILESO=C(Nc1ccc(Cl)cc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H19ClN2O/c22-19-11-13-20(14-12-19)23-21(25)24(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-14H,15-16H2,(H,23,25)
InChIKeyXBUCDZCDAXWTPJ-UHFFFAOYSA-N
MW350.85 g/mol
LogP5.57
Rot. Bonds5

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

1,1-dibenzyl-3-(4-chlorophenyl)urea (PubChem CID 3436734) has the molecular formula C21H19ClN2O and a molecular weight of 350.85 g/mol. Its IUPAC name is 1,1-dibenzyl-3-(4-chlorophenyl)urea.

Molecular Properties

Compound Name1,1-dibenzyl-3-(4-chlorophenyl)urea
PubChem CID3436734
Molecular FormulaC21H19ClN2O
Molecular Weight350.85 g/mol
Exact Mass350.12
IUPAC Name1,1-dibenzyl-3-(4-chlorophenyl)urea
SMILESO=C(Nc1ccc(Cl)cc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H19ClN2O/c22-19-11-13-20(14-12-19)23-21(25)24(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-14H,15-16H2,(H,23,25)
InChIKeyXBUCDZCDAXWTPJ-UHFFFAOYSA-N
XLogP5.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.85
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-dibenzyl-3-(4-chlorophenyl)urea?
The IUPAC name of 1,1-dibenzyl-3-(4-chlorophenyl)urea (CID 3436734) is 1,1-dibenzyl-3-(4-chlorophenyl)urea.
What is the SMILES notation for 1,1-dibenzyl-3-(4-chlorophenyl)urea?
The canonical SMILES for 1,1-dibenzyl-3-(4-chlorophenyl)urea is O=C(Nc1ccc(Cl)cc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 1,1-dibenzyl-3-(4-chlorophenyl)urea?
The InChIKey is XBUCDZCDAXWTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O/c22-19-11-13-20(14-12-19)23-21(25)24(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-14H,15-16H2,(H,23,25).
What are the key properties of 1,1-dibenzyl-3-(4-chlorophenyl)urea?
1,1-dibenzyl-3-(4-chlorophenyl)urea has a molecular weight of 350.85 g/mol, XLogP of 5.57, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibenzyl-3-(4-chlorophenyl)urea is sourced from PubChem (CID 3436734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).