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

C29H30ClF4N3O — CID 142778714

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

N-[(3,5-difluorophenyl)methyl]-2-[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-N-methyl-1,3-dihydroindene-2-carboxamide;hydrochloride (PubChem CID 142778714) has the molecular formula C29H30ClF4N3O and a molecular weight of 548.02 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-2-[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-N-methyl-1,3-dihydroindene-2-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: N-[(3,5-difluorophenyl)methyl]-2-[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-N-methyl-1,3-dihydroindene-2-carboxamide;hydrochloride
• PubChem CID: 142778714
• Molecular Formula: C29H30ClF4N3O
• Molecular Weight: 548.02 g/mol
• Exact Mass: 547.20
• IUPAC Name: N-[(3,5-difluorophenyl)methyl]-2-[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-N-methyl-1,3-dihydroindene-2-carboxamide;hydrochloride
• SMILES: CN(Cc1cc(F)cc(F)c1)C(=O)C1(N2CCN(Cc3cc(F)cc(F)c3)CC2)Cc2ccccc2C1.Cl
• InChI: InChI=1S/C29H29F4N3O.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
• InChIKey: DJBKKVGISSHBSI-UHFFFAOYSA-N
• XLogP: 4.98
• TPSA: 26.79 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	548.02
LogP ≤ 5	4.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-[(3,5-difluorophenyl)methyl]-2-[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-N-methyl-1,3-dihydroindene-2-carboxamide;hydrochloride (CID 142778714) is N-[(3,5-difluorophenyl)methyl]-2-[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-N-methyl-1,3-dihydroindene-2-carboxamide;hydrochloride.

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

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

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

The InChIKey is DJBKKVGISSHBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29F4N3O.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-difluorophenyl)methyl]-2-[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-N-methyl-1,3-dihydroindene-2-carboxamide;hydrochloride?

N-[(3,5-difluorophenyl)methyl]-2-[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-N-methyl-1,3-dihydroindene-2-carboxamide;hydrochloride has a molecular weight of 548.02 g/mol, XLogP of 4.98, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3,5-difluorophenyl)methyl]-2-[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-N-methyl-1,3-dihydroindene-2-carboxamide;hydrochloride is sourced from PubChem (CID 142778714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).