1,1-dibenzyl-3-(2,4-dichlorophenyl)urea

C21H18Cl2N2O — CID 5175202

IUPAC1,1-dibenzyl-3-(2,4-dichlorophenyl)urea
SMILESO=C(Nc1ccc(Cl)cc1Cl)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H18Cl2N2O/c22-18-11-12-20(19(23)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)
InChIKeyITJZEPDILNRMBR-UHFFFAOYSA-N
MW385.29 g/mol
LogP6.23
Rot. Bonds5

About 1,1-dibenzyl-3-(2,4-dichlorophenyl)urea

1,1-dibenzyl-3-(2,4-dichlorophenyl)urea (PubChem CID 5175202) has the molecular formula C21H18Cl2N2O and a molecular weight of 385.29 g/mol. Its IUPAC name is 1,1-dibenzyl-3-(2,4-dichlorophenyl)urea.

Molecular Properties

Compound Name1,1-dibenzyl-3-(2,4-dichlorophenyl)urea
PubChem CID5175202
Molecular FormulaC21H18Cl2N2O
Molecular Weight385.29 g/mol
Exact Mass384.08
IUPAC Name1,1-dibenzyl-3-(2,4-dichlorophenyl)urea
SMILESO=C(Nc1ccc(Cl)cc1Cl)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H18Cl2N2O/c22-18-11-12-20(19(23)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)
InChIKeyITJZEPDILNRMBR-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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Related Compounds

Pencycuron
CID 91692
N-(4-Chlorobenzyl)-N'-phenylurea
CID 4150009
1-(4-Chlorophenyl)-3-[2-(4-chlorophenyl)ethyl]urea
CID 2805176
1-Benzyl-3-(2,5-dichlorophenyl)urea
CID 234245
1-Benzyl-3-(4-chlorophenyl)urea
CID 730667
1-(2-Chlorophenyl)-3-(2,4-dichlorophenyl)urea
CID 4487707
1-{3-[(3,5-Dichlorobenzyl)amino]propyl}-3-Phenylurea
CID 57339424
1-(2,3-Dichlorophenyl)-3-{2-[ethyl(3-methylphenyl)amino]ethyl}urea
CID 4994857
1-(2-Chlorophenyl)-3-{2-[ethyl(3-methylphenyl)amino]ethyl}urea
CID 24768229
1-(2,5-Dichlorophenyl)-3-{2-[ethyl(3-methylphenyl)amino]ethyl}urea
CID 24768231
NAcM-OPT
CID 126711307
1-(4-Chlorophenyl)-3-(4-methylbenzyl)urea
CID 2337855

Frequently Asked Questions

What is the IUPAC name of 1,1-dibenzyl-3-(2,4-dichlorophenyl)urea?
The IUPAC name of 1,1-dibenzyl-3-(2,4-dichlorophenyl)urea (CID 5175202) is 1,1-dibenzyl-3-(2,4-dichlorophenyl)urea.
What is the SMILES notation for 1,1-dibenzyl-3-(2,4-dichlorophenyl)urea?
The canonical SMILES for 1,1-dibenzyl-3-(2,4-dichlorophenyl)urea is O=C(Nc1ccc(Cl)cc1Cl)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 1,1-dibenzyl-3-(2,4-dichlorophenyl)urea?
The InChIKey is ITJZEPDILNRMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N2O/c22-18-11-12-20(19(23)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-(2,4-dichlorophenyl)urea?
1,1-dibenzyl-3-(2,4-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-(2,4-dichlorophenyl)urea is sourced from PubChem (CID 5175202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).