N-butyl-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;2-cyclopropyl-N-propyl-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;2-fluoro-N-propyl-5-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;(4-methylpiperidin-1-yl)-[3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]phenyl]methanone;N-pentyl-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;1-[4-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]phenyl]pentan-1-one

C154H152F19N11O6 — CID 165099929

About N-butyl-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;2-cyclopropyl-N-propyl-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;2-fluoro-N-propyl-5-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;(4-methylpiperidin-1-yl)-[3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]phenyl]methanone;N-pentyl-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;1-[4-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]phenyl]pentan-1-one

N-butyl-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;2-cyclopropyl-N-propyl-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;2-fluoro-N-propyl-5-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;(4-methylpiperidin-1-yl)-[3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]phenyl]methanone;N-pentyl-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;1-[4-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]phenyl]pentan-1-one (PubChem CID 165099929) has the molecular formula C154H152F19N11O6 and a molecular weight of 2613.94 g/mol. Its IUPAC name is N-butyl-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;2-cyclopropyl-N-propyl-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;2-fluoro-N-propyl-5-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;(4-methylpiperidin-1-yl)-[3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]phenyl]methanone;N-pentyl-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;1-[4-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]phenyl]pentan-1-one.

Molecular Properties

• Compound Name: N-butyl-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;2-cyclopropyl-N-propyl-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;2-fluoro-N-propyl-5-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;(4-methylpiperidin-1-yl)-[3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]phenyl]methanone;N-pentyl-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;1-[4-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]phenyl]pentan-1-one
• PubChem CID: 165099929
• Molecular Formula: C154H152F19N11O6
• Molecular Weight: 2613.94 g/mol
• Exact Mass: 2612.16
• IUPAC Name: N-butyl-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;2-cyclopropyl-N-propyl-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;2-fluoro-N-propyl-5-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;(4-methylpiperidin-1-yl)-[3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]phenyl]methanone;N-pentyl-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;1-[4-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]phenyl]pentan-1-one
• SMILES: CC1CCN(C(=O)c2cccc(Cc3cc(Cc4cccc(C(F)(F)F)c4)ccn3)c2)CC1.CCCCC(=O)c1ccc(Cc2cc(Cc3cccc(C(F)(F)F)c3)ccn2)cc1.CCCCCNC(=O)c1cccc(Cc2cc(Cc3cccc(C(F)(F)F)c3)ccn2)c1.CCCCNC(=O)c1cccc(Cc2cc(Cc3cccc(C(F)(F)F)c3)ccn2)c1.CCCNC(=O)c1cc(Cc2cc(Cc3cccc(C(F)(F)F)c3)ccn2)ccc1F.CCCNC(=O)c1cccc(Cc2cc(Cc3cccc(C(F)(F)F)c3)ccn2)c1C1CC1
• InChI: InChI=1S/2C27H27F3N2O.C26H27F3N2O.C25H25F3N2O.C25H24F3NO.C24H22F4N2O/c1-19-9-12-32(13-10-19)26(33)23-6-2-4-21(15-23)17-25-18-22(8-11-31-25)14-20-5-3-7-24(16-20)27(28,29)30;1-2-12-32-26(33)24-8-4-6-21(25(24)20-9-10-20)17-23-16-19(11-13-31-23)14-18-5-3-7-22(15-18)27(28,29)30;1-2-3-4-12-31-25(32)22-9-5-7-20(15-22)17-24-18-21(11-13-30-24)14-19-8-6-10-23(16-19)26(27,28)29;1-2-3-11-30-24(31)21-8-4-6-19(14-21)16-23-17-20(10-12-29-23)13-18-7-5-9-22(15-18)25(26,27)28;1-2-3-7-24(30)21-10-8-18(9-11-21)16-23-17-20(12-13-29-23)14-19-5-4-6-22(15-19)25(26,27)28;1-2-9-30-23(31)21-15-17(6-7-22(21)25)13-20-14-18(8-10-29-20)11-16-4-3-5-19(12-16)24(26,27)28/h2-8,11,15-16,18-19H,9-10,12-14,17H2,1H3;3-8,11,13,15-16,20H,2,9-10,12,14,17H2,1H3,(H,32,33);5-11,13,15-16,18H,2-4,12,14,17H2,1H3,(H,31,32);4-10,12,14-15,17H,2-3,11,13,16H2,1H3,(H,30,31);4-6,8-13,15,17H,2-3,7,14,16H2,1H3;3-8,10,12,14-15H,2,9,11,13H2,1H3,(H,30,31)
• InChIKey: YDRGSYNEAUXGOR-UHFFFAOYSA-N
• XLogP: 36.68
• TPSA: 231.12 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 45
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2613.94
LogP ≤ 5	36.68
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;2-cyclopropyl-N-propyl-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;2-fluoro-N-propyl-5-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;(4-methylpiperidin-1-yl)-[3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]phenyl]methanone;N-pentyl-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;1-[4-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]phenyl]pentan-1-one?

The IUPAC name of N-butyl-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;2-cyclopropyl-N-propyl-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;2-fluoro-N-propyl-5-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;(4-methylpiperidin-1-yl)-[3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]phenyl]methanone;N-pentyl-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;1-[4-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]phenyl]pentan-1-one (CID 165099929) is N-butyl-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;2-cyclopropyl-N-propyl-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;2-fluoro-N-propyl-5-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;(4-methylpiperidin-1-yl)-[3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]phenyl]methanone;N-pentyl-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;1-[4-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]phenyl]pentan-1-one.

What is the SMILES notation for N-butyl-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;2-cyclopropyl-N-propyl-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;2-fluoro-N-propyl-5-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;(4-methylpiperidin-1-yl)-[3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]phenyl]methanone;N-pentyl-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;1-[4-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]phenyl]pentan-1-one?

The canonical SMILES for N-butyl-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;2-cyclopropyl-N-propyl-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;2-fluoro-N-propyl-5-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;(4-methylpiperidin-1-yl)-[3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]phenyl]methanone;N-pentyl-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;1-[4-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]phenyl]pentan-1-one is CC1CCN(C(=O)c2cccc(Cc3cc(Cc4cccc(C(F)(F)F)c4)ccn3)c2)CC1.CCCCC(=O)c1ccc(Cc2cc(Cc3cccc(C(F)(F)F)c3)ccn2)cc1.CCCCCNC(=O)c1cccc(Cc2cc(Cc3cccc(C(F)(F)F)c3)ccn2)c1.CCCCNC(=O)c1cccc(Cc2cc(Cc3cccc(C(F)(F)F)c3)ccn2)c1.CCCNC(=O)c1cc(Cc2cc(Cc3cccc(C(F)(F)F)c3)ccn2)ccc1F.CCCNC(=O)c1cccc(Cc2cc(Cc3cccc(C(F)(F)F)c3)ccn2)c1C1CC1.

What is the InChIKey of N-butyl-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;2-cyclopropyl-N-propyl-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;2-fluoro-N-propyl-5-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;(4-methylpiperidin-1-yl)-[3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]phenyl]methanone;N-pentyl-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;1-[4-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]phenyl]pentan-1-one?

The InChIKey is YDRGSYNEAUXGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H27F3N2O.C26H27F3N2O.C25H25F3N2O.C25H24F3NO.C24H22F4N2O/c1-19-9-12-32(13-10-19)26(33)23-6-2-4-21(15-23)17-25-18-22(8-11-31-25)14-20-5-3-7-24(16-20)27(28,29)30;1-2-12-32-26(33)24-8-4-6-21(25(24)20-9-10-20)17-23-16-19(11-13-31-23)14-18-5-3-7-22(15-18)27(28,29)30;1-2-3-4-12-31-25(32)22-9-5-7-20(15-22)17-24-18-21(11-13-30-24)14-19-8-6-10-23(16-19)26(27,28)29;1-2-3-11-30-24(31)21-8-4-6-19(14-21)16-23-17-20(10-12-29-23)13-18-7-5-9-22(15-18)25(26,27)28;1-2-3-7-24(30)21-10-8-18(9-11-21)16-23-17-20(12-13-29-23)14-19-5-4-6-22(15-19)25(26,27)28;1-2-9-30-23(31)21-15-17(6-7-22(21)25)13-20-14-18(8-10-29-20)11-16-4-3-5-19(12-16)24(26,27)28/h2-8,11,15-16,18-19H,9-10,12-14,17H2,1H3;3-8,11,13,15-16,20H,2,9-10,12,14,17H2,1H3,(H,32,33);5-11,13,15-16,18H,2-4,12,14,17H2,1H3,(H,31,32);4-10,12,14-15,17H,2-3,11,13,16H2,1H3,(H,30,31);4-6,8-13,15,17H,2-3,7,14,16H2,1H3;3-8,10,12,14-15H,2,9,11,13H2,1H3,(H,30,31).

What are the key properties of N-butyl-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;2-cyclopropyl-N-propyl-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;2-fluoro-N-propyl-5-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;(4-methylpiperidin-1-yl)-[3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]phenyl]methanone;N-pentyl-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;1-[4-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]phenyl]pentan-1-one?

N-butyl-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;2-cyclopropyl-N-propyl-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;2-fluoro-N-propyl-5-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;(4-methylpiperidin-1-yl)-[3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]phenyl]methanone;N-pentyl-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;1-[4-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]phenyl]pentan-1-one has a molecular weight of 2613.94 g/mol, XLogP of 36.68, 45 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-butyl-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;2-cyclopropyl-N-propyl-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;2-fluoro-N-propyl-5-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;(4-methylpiperidin-1-yl)-[3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]phenyl]methanone;N-pentyl-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;1-[4-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]phenyl]pentan-1-one is sourced from PubChem (CID 165099929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).