1-[bis(4-chlorophenyl)methyl]-3-(4-chlorophenyl)urea

C20H15Cl3N2O — CID 11524275

IUPAC1-[bis(4-chlorophenyl)methyl]-3-(4-chlorophenyl)urea
SMILESO=C(Nc1ccc(Cl)cc1)NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H15Cl3N2O/c21-15-5-1-13(2-6-15)19(14-3-7-16(22)8-4-14)25-20(26)24-18-11-9-17(23)10-12-18/h1-12,19H,(H2,24,25,26)
InChIKeyIQLQNNIZPSPERD-UHFFFAOYSA-N
MW405.71 g/mol
LogP6.56
Rot. Bonds4

About 1-[bis(4-chlorophenyl)methyl]-3-(4-chlorophenyl)urea

1-[bis(4-chlorophenyl)methyl]-3-(4-chlorophenyl)urea (PubChem CID 11524275) has the molecular formula C20H15Cl3N2O and a molecular weight of 405.71 g/mol. Its IUPAC name is 1-[bis(4-chlorophenyl)methyl]-3-(4-chlorophenyl)urea.

Molecular Properties

Compound Name1-[bis(4-chlorophenyl)methyl]-3-(4-chlorophenyl)urea
PubChem CID11524275
Molecular FormulaC20H15Cl3N2O
Molecular Weight405.71 g/mol
Exact Mass404.02
IUPAC Name1-[bis(4-chlorophenyl)methyl]-3-(4-chlorophenyl)urea
SMILESO=C(Nc1ccc(Cl)cc1)NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H15Cl3N2O/c21-15-5-1-13(2-6-15)19(14-3-7-16(22)8-4-14)25-20(26)24-18-11-9-17(23)10-12-18/h1-12,19H,(H2,24,25,26)
InChIKeyIQLQNNIZPSPERD-UHFFFAOYSA-N
XLogP6.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.71
LogP ≤ 56.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

Pencycuron
CID 91692
1-(4-Chlorophenyl)-3-cyclohexylurea
CID 238899
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-(4-Chlorophenyl)-3-(P-tolyl)urea
CID 730414
1-Benzyl-3-(4-chlorophenyl)urea
CID 730667
1-{3-[(3,5-Dichlorobenzyl)amino]propyl}-3-Phenylurea
CID 57339424
NAcM-OPT
CID 126711307
1-(4-Chlorophenyl)-3-(4-methylbenzyl)urea
CID 2337855
1-(4-Chlorophenyl)-3-phenethylurea
CID 482058
N-(3-chlorophenyl)-N'-(2-phenylethyl)urea
CID 791966

Frequently Asked Questions

What is the IUPAC name of 1-[bis(4-chlorophenyl)methyl]-3-(4-chlorophenyl)urea?
The IUPAC name of 1-[bis(4-chlorophenyl)methyl]-3-(4-chlorophenyl)urea (CID 11524275) is 1-[bis(4-chlorophenyl)methyl]-3-(4-chlorophenyl)urea.
What is the SMILES notation for 1-[bis(4-chlorophenyl)methyl]-3-(4-chlorophenyl)urea?
The canonical SMILES for 1-[bis(4-chlorophenyl)methyl]-3-(4-chlorophenyl)urea is O=C(Nc1ccc(Cl)cc1)NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-[bis(4-chlorophenyl)methyl]-3-(4-chlorophenyl)urea?
The InChIKey is IQLQNNIZPSPERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl3N2O/c21-15-5-1-13(2-6-15)19(14-3-7-16(22)8-4-14)25-20(26)24-18-11-9-17(23)10-12-18/h1-12,19H,(H2,24,25,26).
What are the key properties of 1-[bis(4-chlorophenyl)methyl]-3-(4-chlorophenyl)urea?
1-[bis(4-chlorophenyl)methyl]-3-(4-chlorophenyl)urea has a molecular weight of 405.71 g/mol, XLogP of 6.56, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(4-chlorophenyl)methyl]-3-(4-chlorophenyl)urea is sourced from PubChem (CID 11524275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).