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

C33H30ClF12N3O — CID 142778646

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

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-N-methyl-1,3-dihydroindene-2-carboxamide;hydrochloride (PubChem CID 142778646) has the molecular formula C33H30ClF12N3O and a molecular weight of 748.05 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-N-methyl-1,3-dihydroindene-2-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-N-methyl-1,3-dihydroindene-2-carboxamide;hydrochloride
• PubChem CID: 142778646
• Molecular Formula: C33H30ClF12N3O
• Molecular Weight: 748.05 g/mol
• Exact Mass: 747.19
• IUPAC Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-N-methyl-1,3-dihydroindene-2-carboxamide;hydrochloride
• SMILES: CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)C1(N2CCN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)Cc2ccccc2C1.Cl
• InChI: InChI=1S/C33H29F12N3O.ClH/c1-46(18-20-10-24(30(34,35)36)14-25(11-20)31(37,38)39)28(49)29(16-22-4-2-3-5-23(22)17-29)48-8-6-47(7-9-48)19-21-12-26(32(40,41)42)15-27(13-21)33(43,44)45;/h2-5,10-15H,6-9,16-19H2,1H3;1H
• InChIKey: DUWQJUCVBWEESH-UHFFFAOYSA-N
• XLogP: 8.50
• TPSA: 26.79 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	748.05
LogP ≤ 5	8.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-N-methyl-1,3-dihydroindene-2-carboxamide;hydrochloride?

The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-N-methyl-1,3-dihydroindene-2-carboxamide;hydrochloride (CID 142778646) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-N-methyl-1,3-dihydroindene-2-carboxamide;hydrochloride.

What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-N-methyl-1,3-dihydroindene-2-carboxamide;hydrochloride?

The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-N-methyl-1,3-dihydroindene-2-carboxamide;hydrochloride is CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)C1(N2CCN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)Cc2ccccc2C1.Cl.

What is the InChIKey of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-N-methyl-1,3-dihydroindene-2-carboxamide;hydrochloride?

The InChIKey is DUWQJUCVBWEESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29F12N3O.ClH/c1-46(18-20-10-24(30(34,35)36)14-25(11-20)31(37,38)39)28(49)29(16-22-4-2-3-5-23(22)17-29)48-8-6-47(7-9-48)19-21-12-26(32(40,41)42)15-27(13-21)33(43,44)45;/h2-5,10-15H,6-9,16-19H2,1H3;1H.

What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-N-methyl-1,3-dihydroindene-2-carboxamide;hydrochloride?

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-N-methyl-1,3-dihydroindene-2-carboxamide;hydrochloride has a molecular weight of 748.05 g/mol, XLogP of 8.50, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-N-methyl-1,3-dihydroindene-2-carboxamide;hydrochloride is sourced from PubChem (CID 142778646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).