[1-(4-chlorophenyl)-3-(dimethylamino)propyl] 4-phenylbenzoate

C24H24ClNO2 — CID 11524788

IUPAC[1-(4-chlorophenyl)-3-(dimethylamino)propyl] 4-phenylbenzoate
SMILESCN(C)CCC(OC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C24H24ClNO2/c1-26(2)17-16-23(20-12-14-22(25)15-13-20)28-24(27)21-10-8-19(9-11-21)18-6-4-3-5-7-18/h3-15,23H,16-17H2,1-2H3
InChIKeyQDWASEMMZUZNEA-UHFFFAOYSA-N
MW393.91 g/mol
LogP5.86
Rot. Bonds7

About [1-(4-chlorophenyl)-3-(dimethylamino)propyl] 4-phenylbenzoate

[1-(4-chlorophenyl)-3-(dimethylamino)propyl] 4-phenylbenzoate (PubChem CID 11524788) has the molecular formula C24H24ClNO2 and a molecular weight of 393.91 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-3-(dimethylamino)propyl] 4-phenylbenzoate.

Molecular Properties

Compound Name[1-(4-chlorophenyl)-3-(dimethylamino)propyl] 4-phenylbenzoate
PubChem CID11524788
Molecular FormulaC24H24ClNO2
Molecular Weight393.91 g/mol
Exact Mass393.15
IUPAC Name[1-(4-chlorophenyl)-3-(dimethylamino)propyl] 4-phenylbenzoate
SMILESCN(C)CCC(OC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C24H24ClNO2/c1-26(2)17-16-23(20-12-14-22(25)15-13-20)28-24(27)21-10-8-19(9-11-21)18-6-4-3-5-7-18/h3-15,23H,16-17H2,1-2H3
InChIKeyQDWASEMMZUZNEA-UHFFFAOYSA-N
XLogP5.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.91
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [1-(4-chlorophenyl)-3-(dimethylamino)propyl] 4-phenylbenzoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)-3-(dimethylamino)propyl] 4-phenylbenzoate?
The IUPAC name of [1-(4-chlorophenyl)-3-(dimethylamino)propyl] 4-phenylbenzoate (CID 11524788) is [1-(4-chlorophenyl)-3-(dimethylamino)propyl] 4-phenylbenzoate.
What is the SMILES notation for [1-(4-chlorophenyl)-3-(dimethylamino)propyl] 4-phenylbenzoate?
The canonical SMILES for [1-(4-chlorophenyl)-3-(dimethylamino)propyl] 4-phenylbenzoate is CN(C)CCC(OC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of [1-(4-chlorophenyl)-3-(dimethylamino)propyl] 4-phenylbenzoate?
The InChIKey is QDWASEMMZUZNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClNO2/c1-26(2)17-16-23(20-12-14-22(25)15-13-20)28-24(27)21-10-8-19(9-11-21)18-6-4-3-5-7-18/h3-15,23H,16-17H2,1-2H3.
What are the key properties of [1-(4-chlorophenyl)-3-(dimethylamino)propyl] 4-phenylbenzoate?
[1-(4-chlorophenyl)-3-(dimethylamino)propyl] 4-phenylbenzoate has a molecular weight of 393.91 g/mol, XLogP of 5.86, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)-3-(dimethylamino)propyl] 4-phenylbenzoate is sourced from PubChem (CID 11524788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).