N-[(3,5-dichlorophenyl)methyl]-2-[4-[(3,5-dichlorophenyl)methyl]piperazin-1-yl]-N-methyl-1,3-dihydroindene-2-carboxamide;hydrochloride

C29H30Cl5N3O — CID 142778722

IUPACN-[(3,5-dichlorophenyl)methyl]-2-[4-[(3,5-dichlorophenyl)methyl]piperazin-1-yl]-N-methyl-1,3-dihydroindene-2-carboxamide;hydrochloride
SMILESCN(Cc1cc(Cl)cc(Cl)c1)C(=O)C1(N2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)Cc2ccccc2C1.Cl
InChIInChI=1S/C29H29Cl4N3O.ClH/c1-34(18-20-10-24(30)14-25(31)11-20)28(37)29(16-22-4-2-3-5-23(22)17-29)36-8-6-35(7-9-36)19-21-12-26(32)15-27(33)13-21;/h2-5,10-15H,6-9,16-19H2,1H3;1H
InChIKeyPSEOJJBURJBARX-UHFFFAOYSA-N
MW613.84 g/mol
LogP7.04
Rot. Bonds6

About N-[(3,5-dichlorophenyl)methyl]-2-[4-[(3,5-dichlorophenyl)methyl]piperazin-1-yl]-N-methyl-1,3-dihydroindene-2-carboxamide;hydrochloride

N-[(3,5-dichlorophenyl)methyl]-2-[4-[(3,5-dichlorophenyl)methyl]piperazin-1-yl]-N-methyl-1,3-dihydroindene-2-carboxamide;hydrochloride (PubChem CID 142778722) has the molecular formula C29H30Cl5N3O and a molecular weight of 613.84 g/mol. Its IUPAC name is N-[(3,5-dichlorophenyl)methyl]-2-[4-[(3,5-dichlorophenyl)methyl]piperazin-1-yl]-N-methyl-1,3-dihydroindene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(3,5-dichlorophenyl)methyl]-2-[4-[(3,5-dichlorophenyl)methyl]piperazin-1-yl]-N-methyl-1,3-dihydroindene-2-carboxamide;hydrochloride
PubChem CID142778722
Molecular FormulaC29H30Cl5N3O
Molecular Weight613.84 g/mol
Exact Mass611.08
IUPAC NameN-[(3,5-dichlorophenyl)methyl]-2-[4-[(3,5-dichlorophenyl)methyl]piperazin-1-yl]-N-methyl-1,3-dihydroindene-2-carboxamide;hydrochloride
SMILESCN(Cc1cc(Cl)cc(Cl)c1)C(=O)C1(N2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)Cc2ccccc2C1.Cl
InChIInChI=1S/C29H29Cl4N3O.ClH/c1-34(18-20-10-24(30)14-25(31)11-20)28(37)29(16-22-4-2-3-5-23(22)17-29)36-8-6-35(7-9-36)19-21-12-26(32)15-27(33)13-21;/h2-5,10-15H,6-9,16-19H2,1H3;1H
InChIKeyPSEOJJBURJBARX-UHFFFAOYSA-N
XLogP7.04
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.84
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(3,5-dichlorophenyl)methyl]-2-[4-[(3,5-dichlorophenyl)methyl]piperazin-1-yl]-N-methyl-1,3-dihydroindene-2-carboxamide;hydrochloride 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 N-[(3,5-dichlorophenyl)methyl]-2-[4-[(3,5-dichlorophenyl)methyl]piperazin-1-yl]-N-methyl-1,3-dihydroindene-2-carboxamide;hydrochloride?
The IUPAC name of N-[(3,5-dichlorophenyl)methyl]-2-[4-[(3,5-dichlorophenyl)methyl]piperazin-1-yl]-N-methyl-1,3-dihydroindene-2-carboxamide;hydrochloride (CID 142778722) is N-[(3,5-dichlorophenyl)methyl]-2-[4-[(3,5-dichlorophenyl)methyl]piperazin-1-yl]-N-methyl-1,3-dihydroindene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[(3,5-dichlorophenyl)methyl]-2-[4-[(3,5-dichlorophenyl)methyl]piperazin-1-yl]-N-methyl-1,3-dihydroindene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[(3,5-dichlorophenyl)methyl]-2-[4-[(3,5-dichlorophenyl)methyl]piperazin-1-yl]-N-methyl-1,3-dihydroindene-2-carboxamide;hydrochloride is CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C1(N2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)Cc2ccccc2C1.Cl.
What is the InChIKey of N-[(3,5-dichlorophenyl)methyl]-2-[4-[(3,5-dichlorophenyl)methyl]piperazin-1-yl]-N-methyl-1,3-dihydroindene-2-carboxamide;hydrochloride?
The InChIKey is PSEOJJBURJBARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29Cl4N3O.ClH/c1-34(18-20-10-24(30)14-25(31)11-20)28(37)29(16-22-4-2-3-5-23(22)17-29)36-8-6-35(7-9-36)19-21-12-26(32)15-27(33)13-21;/h2-5,10-15H,6-9,16-19H2,1H3;1H.
What are the key properties of N-[(3,5-dichlorophenyl)methyl]-2-[4-[(3,5-dichlorophenyl)methyl]piperazin-1-yl]-N-methyl-1,3-dihydroindene-2-carboxamide;hydrochloride?
N-[(3,5-dichlorophenyl)methyl]-2-[4-[(3,5-dichlorophenyl)methyl]piperazin-1-yl]-N-methyl-1,3-dihydroindene-2-carboxamide;hydrochloride has a molecular weight of 613.84 g/mol, XLogP of 7.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichlorophenyl)methyl]-2-[4-[(3,5-dichlorophenyl)methyl]piperazin-1-yl]-N-methyl-1,3-dihydroindene-2-carboxamide;hydrochloride is sourced from PubChem (CID 142778722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).