2-[3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-2-phenylindol-1-yl]-N-propan-2-ylacetamide;2,2,2-trifluoroacetic acid

C33H34Cl2F3N3O3 — CID 69073102

About 2-[3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-2-phenylindol-1-yl]-N-propan-2-ylacetamide;2,2,2-trifluoroacetic acid

2-[3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-2-phenylindol-1-yl]-N-propan-2-ylacetamide;2,2,2-trifluoroacetic acid (PubChem CID 69073102) has the molecular formula C33H34Cl2F3N3O3 and a molecular weight of 648.55 g/mol. Its IUPAC name is 2-[3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-2-phenylindol-1-yl]-N-propan-2-ylacetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 2-[3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-2-phenylindol-1-yl]-N-propan-2-ylacetamide;2,2,2-trifluoroacetic acid
• PubChem CID: 69073102
• Molecular Formula: C33H34Cl2F3N3O3
• Molecular Weight: 648.55 g/mol
• Exact Mass: 647.19
• IUPAC Name: 2-[3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-2-phenylindol-1-yl]-N-propan-2-ylacetamide;2,2,2-trifluoroacetic acid
• SMILES: CC(C)NC(=O)Cn1c(-c2ccccc2)c(CN2CCC(c3c(Cl)cccc3Cl)CC2)c2ccccc21.O=C(O)C(F)(F)F
• InChI: InChI=1S/C31H33Cl2N3O.C2HF3O2/c1-21(2)34-29(37)20-36-28-14-7-6-11-24(28)25(31(36)23-9-4-3-5-10-23)19-35-17-15-22(16-18-35)30-26(32)12-8-13-27(30)33;3-2(4,5)1(6)7/h3-14,21-22H,15-20H2,1-2H3,(H,34,37);(H,6,7)
• InChIKey: GZXRBNSBUMBBTQ-UHFFFAOYSA-N
• XLogP: 8.15
• TPSA: 74.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	648.55
LogP ≤ 5	8.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-2-phenylindol-1-yl]-N-propan-2-ylacetamide;2,2,2-trifluoroacetic acid?

The IUPAC name of 2-[3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-2-phenylindol-1-yl]-N-propan-2-ylacetamide;2,2,2-trifluoroacetic acid (CID 69073102) is 2-[3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-2-phenylindol-1-yl]-N-propan-2-ylacetamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 2-[3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-2-phenylindol-1-yl]-N-propan-2-ylacetamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for 2-[3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-2-phenylindol-1-yl]-N-propan-2-ylacetamide;2,2,2-trifluoroacetic acid is CC(C)NC(=O)Cn1c(-c2ccccc2)c(CN2CCC(c3c(Cl)cccc3Cl)CC2)c2ccccc21.O=C(O)C(F)(F)F.

What is the InChIKey of 2-[3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-2-phenylindol-1-yl]-N-propan-2-ylacetamide;2,2,2-trifluoroacetic acid?

The InChIKey is GZXRBNSBUMBBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33Cl2N3O.C2HF3O2/c1-21(2)34-29(37)20-36-28-14-7-6-11-24(28)25(31(36)23-9-4-3-5-10-23)19-35-17-15-22(16-18-35)30-26(32)12-8-13-27(30)33;3-2(4,5)1(6)7/h3-14,21-22H,15-20H2,1-2H3,(H,34,37);(H,6,7).

What are the key properties of 2-[3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-2-phenylindol-1-yl]-N-propan-2-ylacetamide;2,2,2-trifluoroacetic acid?

2-[3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-2-phenylindol-1-yl]-N-propan-2-ylacetamide;2,2,2-trifluoroacetic acid has a molecular weight of 648.55 g/mol, XLogP of 8.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-2-phenylindol-1-yl]-N-propan-2-ylacetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 69073102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).