1-[3-[bis[2-(4-chlorophenyl)ethyl]amino]propyl]-3-phenylurea

C26H29Cl2N3O — CID 22506194

IUPAC1-[3-[bis[2-(4-chlorophenyl)ethyl]amino]propyl]-3-phenylurea
SMILESO=C(NCCCN(CCc1ccc(Cl)cc1)CCc1ccc(Cl)cc1)Nc1ccccc1
InChIInChI=1S/C26H29Cl2N3O/c27-23-11-7-21(8-12-23)15-19-31(20-16-22-9-13-24(28)14-10-22)18-4-17-29-26(32)30-25-5-2-1-3-6-25/h1-3,5-14H,4,15-20H2,(H2,29,30,32)
InChIKeyGAILHOGACDKLIN-UHFFFAOYSA-N
MW470.44 g/mol
LogP6.29
Rot. Bonds11

About 1-[3-[bis[2-(4-chlorophenyl)ethyl]amino]propyl]-3-phenylurea

1-[3-[bis[2-(4-chlorophenyl)ethyl]amino]propyl]-3-phenylurea (PubChem CID 22506194) has the molecular formula C26H29Cl2N3O and a molecular weight of 470.44 g/mol. Its IUPAC name is 1-[3-[bis[2-(4-chlorophenyl)ethyl]amino]propyl]-3-phenylurea.

Molecular Properties

Compound Name1-[3-[bis[2-(4-chlorophenyl)ethyl]amino]propyl]-3-phenylurea
PubChem CID22506194
Molecular FormulaC26H29Cl2N3O
Molecular Weight470.44 g/mol
Exact Mass469.17
IUPAC Name1-[3-[bis[2-(4-chlorophenyl)ethyl]amino]propyl]-3-phenylurea
SMILESO=C(NCCCN(CCc1ccc(Cl)cc1)CCc1ccc(Cl)cc1)Nc1ccccc1
InChIInChI=1S/C26H29Cl2N3O/c27-23-11-7-21(8-12-23)15-19-31(20-16-22-9-13-24(28)14-10-22)18-4-17-29-26(32)30-25-5-2-1-3-6-25/h1-3,5-14H,4,15-20H2,(H2,29,30,32)
InChIKeyGAILHOGACDKLIN-UHFFFAOYSA-N
XLogP6.29
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.44
LogP ≤ 56.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-[benzyl(methyl)amino]propyl]-3-(4-chlorophenyl)urea
CID 46647437
1-(4-chlorophenyl)-3-[2-(4-phenylphenyl)ethyl]urea
CID 155436724
1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)ethyl]urea
CID 2805176
1-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]-3-phenylurea
CID 113067081
1-phenyl-3-[2-[4-phenylbutyl(propyl)amino]ethyl]urea;hydrobromide
CID 70412963
4-chloro-N-[3-[(4-ethylphenyl)carbamoylamino]propyl]-N-phenylbenzamide
CID 42705311
4-[2-(4-chlorophenyl)ethylcarbamoylamino]benzoic acid
CID 108891822
1-[3-(N-(4-chlorophenyl)sulfonylanilino)propyl]-3-(4-ethylphenyl)urea
CID 42703058
1-[2-(4-chlorophenyl)ethyl]-3-[3-(dimethylamino)propyl]urea
CID 108891914
1-[2-[bis[2-(3-phenylpropylcarbamoylamino)ethyl]amino]ethyl]-3-(3-phenylpropyl)urea
CID 101049094
1-[3-[heptyl(octyl)amino]propyl]-3-[4-[[4-[3-[heptyl(octyl)amino]propylcarbamoylamino]phenyl]methyl]phenyl]urea
CID 139954770
1-phenyl-3-[3-(4-sulfamoylphenyl)propyl]urea
CID 110293756

Frequently Asked Questions

What is the IUPAC name of 1-[3-[bis[2-(4-chlorophenyl)ethyl]amino]propyl]-3-phenylurea?
The IUPAC name of 1-[3-[bis[2-(4-chlorophenyl)ethyl]amino]propyl]-3-phenylurea (CID 22506194) is 1-[3-[bis[2-(4-chlorophenyl)ethyl]amino]propyl]-3-phenylurea.
What is the SMILES notation for 1-[3-[bis[2-(4-chlorophenyl)ethyl]amino]propyl]-3-phenylurea?
The canonical SMILES for 1-[3-[bis[2-(4-chlorophenyl)ethyl]amino]propyl]-3-phenylurea is O=C(NCCCN(CCc1ccc(Cl)cc1)CCc1ccc(Cl)cc1)Nc1ccccc1.
What is the InChIKey of 1-[3-[bis[2-(4-chlorophenyl)ethyl]amino]propyl]-3-phenylurea?
The InChIKey is GAILHOGACDKLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29Cl2N3O/c27-23-11-7-21(8-12-23)15-19-31(20-16-22-9-13-24(28)14-10-22)18-4-17-29-26(32)30-25-5-2-1-3-6-25/h1-3,5-14H,4,15-20H2,(H2,29,30,32).
What are the key properties of 1-[3-[bis[2-(4-chlorophenyl)ethyl]amino]propyl]-3-phenylurea?
1-[3-[bis[2-(4-chlorophenyl)ethyl]amino]propyl]-3-phenylurea has a molecular weight of 470.44 g/mol, XLogP of 6.29, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[bis[2-(4-chlorophenyl)ethyl]amino]propyl]-3-phenylurea is sourced from PubChem (CID 22506194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).