3-(4-chlorophenyl)-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]benzamide;hydrochloride

C24H25Cl3N2O — CID 45482435

IUPAC3-(4-chlorophenyl)-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]benzamide;hydrochloride
SMILESCN(C)CCC(NC(=O)c1cccc(-c2ccc(Cl)cc2)c1)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C24H24Cl2N2O.ClH/c1-28(2)15-14-23(18-8-12-22(26)13-9-18)27-24(29)20-5-3-4-19(16-20)17-6-10-21(25)11-7-17;/h3-13,16,23H,14-15H2,1-2H3,(H,27,29);1H
InChIKeyFPAABJSALOPYMY-UHFFFAOYSA-N
MW463.84 g/mol
LogP6.51
Rot. Bonds7

About 3-(4-chlorophenyl)-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]benzamide;hydrochloride

3-(4-chlorophenyl)-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]benzamide;hydrochloride (PubChem CID 45482435) has the molecular formula C24H25Cl3N2O and a molecular weight of 463.84 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]benzamide;hydrochloride
PubChem CID45482435
Molecular FormulaC24H25Cl3N2O
Molecular Weight463.84 g/mol
Exact Mass462.10
IUPAC Name3-(4-chlorophenyl)-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]benzamide;hydrochloride
SMILESCN(C)CCC(NC(=O)c1cccc(-c2ccc(Cl)cc2)c1)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C24H24Cl2N2O.ClH/c1-28(2)15-14-23(18-8-12-22(26)13-9-18)27-24(29)20-5-3-4-19(16-20)17-6-10-21(25)11-7-17;/h3-13,16,23H,14-15H2,1-2H3,(H,27,29);1H
InChIKeyFPAABJSALOPYMY-UHFFFAOYSA-N
XLogP6.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.84
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]benzamide;hydrochloride?
The IUPAC name of 3-(4-chlorophenyl)-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]benzamide;hydrochloride (CID 45482435) is 3-(4-chlorophenyl)-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]benzamide;hydrochloride.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]benzamide;hydrochloride?
The canonical SMILES for 3-(4-chlorophenyl)-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]benzamide;hydrochloride is CN(C)CCC(NC(=O)c1cccc(-c2ccc(Cl)cc2)c1)c1ccc(Cl)cc1.Cl.
What is the InChIKey of 3-(4-chlorophenyl)-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]benzamide;hydrochloride?
The InChIKey is FPAABJSALOPYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N2O.ClH/c1-28(2)15-14-23(18-8-12-22(26)13-9-18)27-24(29)20-5-3-4-19(16-20)17-6-10-21(25)11-7-17;/h3-13,16,23H,14-15H2,1-2H3,(H,27,29);1H.
What are the key properties of 3-(4-chlorophenyl)-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]benzamide;hydrochloride?
3-(4-chlorophenyl)-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]benzamide;hydrochloride has a molecular weight of 463.84 g/mol, XLogP of 6.51, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]benzamide;hydrochloride is sourced from PubChem (CID 45482435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).