3-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]-1-(3,3-diphenylpropyl)urea

C29H26Cl2N2O — CID 4541691

IUPAC3-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]-1-(3,3-diphenylpropyl)urea
SMILESO=C(Nc1ccc(Cl)cc1)N(CCC(c1ccccc1)c1ccccc1)Cc1ccccc1Cl
InChIInChI=1S/C29H26Cl2N2O/c30-25-15-17-26(18-16-25)32-29(34)33(21-24-13-7-8-14-28(24)31)20-19-27(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-18,27H,19-21H2,(H,32,34)
InChIKeyUDZNXAYGPQSICA-UHFFFAOYSA-N
MW489.45 g/mol
LogP8.25
Rot. Bonds8

About 3-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]-1-(3,3-diphenylpropyl)urea

3-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]-1-(3,3-diphenylpropyl)urea (PubChem CID 4541691) has the molecular formula C29H26Cl2N2O and a molecular weight of 489.45 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]-1-(3,3-diphenylpropyl)urea.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]-1-(3,3-diphenylpropyl)urea
PubChem CID4541691
Molecular FormulaC29H26Cl2N2O
Molecular Weight489.45 g/mol
Exact Mass488.14
IUPAC Name3-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]-1-(3,3-diphenylpropyl)urea
SMILESO=C(Nc1ccc(Cl)cc1)N(CCC(c1ccccc1)c1ccccc1)Cc1ccccc1Cl
InChIInChI=1S/C29H26Cl2N2O/c30-25-15-17-26(18-16-25)32-29(34)33(21-24-13-7-8-14-28(24)31)20-19-27(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-18,27H,19-21H2,(H,32,34)
InChIKeyUDZNXAYGPQSICA-UHFFFAOYSA-N
XLogP8.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.45
LogP ≤ 58.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]-1-(3,3-diphenylpropyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-bromophenyl)-1-[(2-chlorophenyl)methyl]-1-(3,3-diphenylpropyl)urea
CID 5108231
3-(4-bromophenyl)-1-[(3,4-dichlorophenyl)methyl]-1-(3,3-diphenylpropyl)urea
CID 42657018
1-(3,3-diphenylpropyl)-3-(4-methylphenyl)-1-(2-methylpropyl)urea
CID 69028236
1-(3,3-diphenylpropyl)-1-(2-methylpropyl)-3-(4-phenoxyphenyl)urea
CID 69028216
3-(4-bromophenyl)-1-[(2-chlorophenyl)methyl]-1-(2-pyridin-2-ylethyl)urea
CID 1057498
1-[(2-chlorophenyl)methyl]-1-cyclopentyl-3-phenylurea
CID 151779518
1-(3,3-diphenylpropyl)-1-(2-methylpropyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 69028477
3-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]-1-(1,1-dioxothiolan-3-yl)urea
CID 18883819
3-(4-chlorophenyl)-1-(2-phenylethyl)-1-(thiophen-3-ylmethyl)urea
CID 42704217
1-benzhydryl-3-(4-chlorophenyl)-1-(2-cyanoethyl)urea
CID 42697323
2-amino-N-(4-chlorophenyl)-2-phenylacetamide
CID 24702199
1-benzyl-1-(2-hydroxyethyl)-3-(4-propan-2-ylphenyl)urea
CID 110896720

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]-1-(3,3-diphenylpropyl)urea?
The IUPAC name of 3-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]-1-(3,3-diphenylpropyl)urea (CID 4541691) is 3-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]-1-(3,3-diphenylpropyl)urea.
What is the SMILES notation for 3-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]-1-(3,3-diphenylpropyl)urea?
The canonical SMILES for 3-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]-1-(3,3-diphenylpropyl)urea is O=C(Nc1ccc(Cl)cc1)N(CCC(c1ccccc1)c1ccccc1)Cc1ccccc1Cl.
What is the InChIKey of 3-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]-1-(3,3-diphenylpropyl)urea?
The InChIKey is UDZNXAYGPQSICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26Cl2N2O/c30-25-15-17-26(18-16-25)32-29(34)33(21-24-13-7-8-14-28(24)31)20-19-27(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-18,27H,19-21H2,(H,32,34).
What are the key properties of 3-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]-1-(3,3-diphenylpropyl)urea?
3-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]-1-(3,3-diphenylpropyl)urea has a molecular weight of 489.45 g/mol, XLogP of 8.25, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]-1-(3,3-diphenylpropyl)urea is sourced from PubChem (CID 4541691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).