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

C25H28Cl2N2O — CID 45482437

IUPAC3-(4-chlorophenyl)-N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]benzamide;hydrochloride
SMILESCc1ccc(C(CCN(C)C)NC(=O)c2cccc(-c3ccc(Cl)cc3)c2)cc1.Cl
InChIInChI=1S/C25H27ClN2O.ClH/c1-18-7-9-20(10-8-18)24(15-16-28(2)3)27-25(29)22-6-4-5-21(17-22)19-11-13-23(26)14-12-19;/h4-14,17,24H,15-16H2,1-3H3,(H,27,29);1H
InChIKeyWJRCTNVPRCEPON-UHFFFAOYSA-N
MW443.42 g/mol
LogP6.16
Rot. Bonds7

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

3-(4-chlorophenyl)-N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]benzamide;hydrochloride (PubChem CID 45482437) has the molecular formula C25H28Cl2N2O and a molecular weight of 443.42 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]benzamide;hydrochloride
PubChem CID45482437
Molecular FormulaC25H28Cl2N2O
Molecular Weight443.42 g/mol
Exact Mass442.16
IUPAC Name3-(4-chlorophenyl)-N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]benzamide;hydrochloride
SMILESCc1ccc(C(CCN(C)C)NC(=O)c2cccc(-c3ccc(Cl)cc3)c2)cc1.Cl
InChIInChI=1S/C25H27ClN2O.ClH/c1-18-7-9-20(10-8-18)24(15-16-28(2)3)27-25(29)22-6-4-5-21(17-22)19-11-13-23(26)14-12-19;/h4-14,17,24H,15-16H2,1-3H3,(H,27,29);1H
InChIKeyWJRCTNVPRCEPON-UHFFFAOYSA-N
XLogP6.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.42
LogP ≤ 56.16
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-[3-(dimethylamino)-1-(4-methylphenyl)propyl]benzamide;hydrochloride?
The IUPAC name of 3-(4-chlorophenyl)-N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]benzamide;hydrochloride (CID 45482437) is 3-(4-chlorophenyl)-N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]benzamide;hydrochloride.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]benzamide;hydrochloride?
The canonical SMILES for 3-(4-chlorophenyl)-N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]benzamide;hydrochloride is Cc1ccc(C(CCN(C)C)NC(=O)c2cccc(-c3ccc(Cl)cc3)c2)cc1.Cl.
What is the InChIKey of 3-(4-chlorophenyl)-N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]benzamide;hydrochloride?
The InChIKey is WJRCTNVPRCEPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN2O.ClH/c1-18-7-9-20(10-8-18)24(15-16-28(2)3)27-25(29)22-6-4-5-21(17-22)19-11-13-23(26)14-12-19;/h4-14,17,24H,15-16H2,1-3H3,(H,27,29);1H.
What are the key properties of 3-(4-chlorophenyl)-N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]benzamide;hydrochloride?
3-(4-chlorophenyl)-N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]benzamide;hydrochloride has a molecular weight of 443.42 g/mol, XLogP of 6.16, 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-[3-(dimethylamino)-1-(4-methylphenyl)propyl]benzamide;hydrochloride is sourced from PubChem (CID 45482437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).