2,4-difluoro-N-methyl-N-[[(3R)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]benzamide

C23H25F5N2O — CID 42593796

About 2,4-difluoro-N-methyl-N-[[(3R)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]benzamide

2,4-difluoro-N-methyl-N-[[(3R)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]benzamide (PubChem CID 42593796) has the molecular formula C23H25F5N2O and a molecular weight of 440.46 g/mol. Its IUPAC name is 2,4-difluoro-N-methyl-N-[[(3R)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]benzamide.

Molecular Properties

• Compound Name: 2,4-difluoro-N-methyl-N-[[(3R)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]benzamide
• PubChem CID: 42593796
• Molecular Formula: C23H25F5N2O
• Molecular Weight: 440.46 g/mol
• Exact Mass: 440.19
• IUPAC Name: 2,4-difluoro-N-methyl-N-[[(3R)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]benzamide
• SMILES: CN(C[C@@H]1CCCN(CCc2cccc(C(F)(F)F)c2)C1)C(=O)c1ccc(F)cc1F
• InChI: InChI=1S/C23H25F5N2O/c1-29(22(31)20-8-7-19(24)13-21(20)25)14-17-5-3-10-30(15-17)11-9-16-4-2-6-18(12-16)23(26,27)28/h2,4,6-8,12-13,17H,3,5,9-11,14-15H2,1H3/t17-/m0/s1
• InChIKey: QSEVFXAUNZZTSA-KRWDZBQOSA-N
• XLogP: 5.01
• TPSA: 23.55 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	440.46
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-methyl-N-[[(3R)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]benzamide?

The IUPAC name of 2,4-difluoro-N-methyl-N-[[(3R)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]benzamide (CID 42593796) is 2,4-difluoro-N-methyl-N-[[(3R)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]benzamide.

What is the SMILES notation for 2,4-difluoro-N-methyl-N-[[(3R)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]benzamide?

The canonical SMILES for 2,4-difluoro-N-methyl-N-[[(3R)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]benzamide is CN(C[C@@H]1CCCN(CCc2cccc(C(F)(F)F)c2)C1)C(=O)c1ccc(F)cc1F.

What is the InChIKey of 2,4-difluoro-N-methyl-N-[[(3R)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]benzamide?

The InChIKey is QSEVFXAUNZZTSA-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H25F5N2O/c1-29(22(31)20-8-7-19(24)13-21(20)25)14-17-5-3-10-30(15-17)11-9-16-4-2-6-18(12-16)23(26,27)28/h2,4,6-8,12-13,17H,3,5,9-11,14-15H2,1H3/t17-/m0/s1.

What are the key properties of 2,4-difluoro-N-methyl-N-[[(3R)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]benzamide?

2,4-difluoro-N-methyl-N-[[(3R)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]benzamide has a molecular weight of 440.46 g/mol, XLogP of 5.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-difluoro-N-methyl-N-[[(3R)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]benzamide is sourced from PubChem (CID 42593796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).