2-[3,5-bis(trifluoromethyl)phenyl]-N-[2-(3,4-dichlorophenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-N-methylacetamide

C30H28Cl2F6N2O2 — CID 15434907

About 2-[3,5-bis(trifluoromethyl)phenyl]-N-[2-(3,4-dichlorophenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-N-methylacetamide

2-[3,5-bis(trifluoromethyl)phenyl]-N-[2-(3,4-dichlorophenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-N-methylacetamide (PubChem CID 15434907) has the molecular formula C30H28Cl2F6N2O2 and a molecular weight of 633.46 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)phenyl]-N-[2-(3,4-dichlorophenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-N-methylacetamide.

Molecular Properties

• Compound Name: 2-[3,5-bis(trifluoromethyl)phenyl]-N-[2-(3,4-dichlorophenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-N-methylacetamide
• PubChem CID: 15434907
• Molecular Formula: C30H28Cl2F6N2O2
• Molecular Weight: 633.46 g/mol
• Exact Mass: 632.14
• IUPAC Name: 2-[3,5-bis(trifluoromethyl)phenyl]-N-[2-(3,4-dichlorophenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-N-methylacetamide
• SMILES: CN(CC(c1ccc(Cl)c(Cl)c1)N1CCC(O)(c2ccccc2)CC1)C(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1
• InChI: InChI=1S/C30H28Cl2F6N2O2/c1-39(27(41)15-19-13-22(29(33,34)35)17-23(14-19)30(36,37)38)18-26(20-7-8-24(31)25(32)16-20)40-11-9-28(42,10-12-40)21-5-3-2-4-6-21/h2-8,13-14,16-17,26,42H,9-12,15,18H2,1H3
• InChIKey: TWUUEUIPYAQTCI-UHFFFAOYSA-N
• XLogP: 7.76
• TPSA: 43.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	633.46
LogP ≤ 5	7.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[2-(3,4-dichlorophenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-N-methylacetamide?

The IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[2-(3,4-dichlorophenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-N-methylacetamide (CID 15434907) is 2-[3,5-bis(trifluoromethyl)phenyl]-N-[2-(3,4-dichlorophenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-N-methylacetamide.

What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)phenyl]-N-[2-(3,4-dichlorophenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-N-methylacetamide?

The canonical SMILES for 2-[3,5-bis(trifluoromethyl)phenyl]-N-[2-(3,4-dichlorophenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-N-methylacetamide is CN(CC(c1ccc(Cl)c(Cl)c1)N1CCC(O)(c2ccccc2)CC1)C(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1.

What is the InChIKey of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[2-(3,4-dichlorophenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-N-methylacetamide?

The InChIKey is TWUUEUIPYAQTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28Cl2F6N2O2/c1-39(27(41)15-19-13-22(29(33,34)35)17-23(14-19)30(36,37)38)18-26(20-7-8-24(31)25(32)16-20)40-11-9-28(42,10-12-40)21-5-3-2-4-6-21/h2-8,13-14,16-17,26,42H,9-12,15,18H2,1H3.

What are the key properties of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[2-(3,4-dichlorophenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-N-methylacetamide?

2-[3,5-bis(trifluoromethyl)phenyl]-N-[2-(3,4-dichlorophenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-N-methylacetamide has a molecular weight of 633.46 g/mol, XLogP of 7.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3,5-bis(trifluoromethyl)phenyl]-N-[2-(3,4-dichlorophenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-N-methylacetamide is sourced from PubChem (CID 15434907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).