1,1-dibenzyl-3-(2,5-dichlorophenyl)urea

C21H18Cl2N2O — CID 3624465

IUPAC1,1-dibenzyl-3-(2,5-dichlorophenyl)urea
SMILESO=C(Nc1cc(Cl)ccc1Cl)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H18Cl2N2O/c22-18-11-12-19(23)20(13-18)24-21(26)25(14-16-7-3-1-4-8-16)15-17-9-5-2-6-10-17/h1-13H,14-15H2,(H,24,26)
InChIKeyHPLRGPMVWSLYNM-UHFFFAOYSA-N
MW385.29 g/mol
LogP6.23
Rot. Bonds5

About 1,1-dibenzyl-3-(2,5-dichlorophenyl)urea

1,1-dibenzyl-3-(2,5-dichlorophenyl)urea (PubChem CID 3624465) has the molecular formula C21H18Cl2N2O and a molecular weight of 385.29 g/mol. Its IUPAC name is 1,1-dibenzyl-3-(2,5-dichlorophenyl)urea.

Molecular Properties

Compound Name1,1-dibenzyl-3-(2,5-dichlorophenyl)urea
PubChem CID3624465
Molecular FormulaC21H18Cl2N2O
Molecular Weight385.29 g/mol
Exact Mass384.08
IUPAC Name1,1-dibenzyl-3-(2,5-dichlorophenyl)urea
SMILESO=C(Nc1cc(Cl)ccc1Cl)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H18Cl2N2O/c22-18-11-12-19(23)20(13-18)24-21(26)25(14-16-7-3-1-4-8-16)15-17-9-5-2-6-10-17/h1-13H,14-15H2,(H,24,26)
InChIKeyHPLRGPMVWSLYNM-UHFFFAOYSA-N
XLogP6.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.29
LogP ≤ 56.23
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-(2,5-dichlorophenyl)urea?
The IUPAC name of 1,1-dibenzyl-3-(2,5-dichlorophenyl)urea (CID 3624465) is 1,1-dibenzyl-3-(2,5-dichlorophenyl)urea.
What is the SMILES notation for 1,1-dibenzyl-3-(2,5-dichlorophenyl)urea?
The canonical SMILES for 1,1-dibenzyl-3-(2,5-dichlorophenyl)urea is O=C(Nc1cc(Cl)ccc1Cl)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 1,1-dibenzyl-3-(2,5-dichlorophenyl)urea?
The InChIKey is HPLRGPMVWSLYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N2O/c22-18-11-12-19(23)20(13-18)24-21(26)25(14-16-7-3-1-4-8-16)15-17-9-5-2-6-10-17/h1-13H,14-15H2,(H,24,26).
What are the key properties of 1,1-dibenzyl-3-(2,5-dichlorophenyl)urea?
1,1-dibenzyl-3-(2,5-dichlorophenyl)urea has a molecular weight of 385.29 g/mol, XLogP of 6.23, 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-(2,5-dichlorophenyl)urea is sourced from PubChem (CID 3624465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).