N-(2-fluoropropyl)-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;4-hydroxy-1-[2-methyl-3-[[4-[(3-methylphenyl)methyl]-2-pyridinyl]amino]phenyl]butan-1-one;N-(2-methoxyethyl)-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;1-[4-methyl-3-[[4-[(3-methylphenyl)methyl]-2-pyridinyl]amino]phenyl]pentan-1-one;piperidin-1-yl-[3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]phenyl]methanone

C123H124F10N10O7 — CID 164967983

About N-(2-fluoropropyl)-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;4-hydroxy-1-[2-methyl-3-[[4-[(3-methylphenyl)methyl]-2-pyridinyl]amino]phenyl]butan-1-one;N-(2-methoxyethyl)-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;1-[4-methyl-3-[[4-[(3-methylphenyl)methyl]-2-pyridinyl]amino]phenyl]pentan-1-one;piperidin-1-yl-[3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]phenyl]methanone

N-(2-fluoropropyl)-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;4-hydroxy-1-[2-methyl-3-[[4-[(3-methylphenyl)methyl]-2-pyridinyl]amino]phenyl]butan-1-one;N-(2-methoxyethyl)-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;1-[4-methyl-3-[[4-[(3-methylphenyl)methyl]-2-pyridinyl]amino]phenyl]pentan-1-one;piperidin-1-yl-[3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]phenyl]methanone (PubChem CID 164967983) has the molecular formula C123H124F10N10O7 and a molecular weight of 2044.39 g/mol. Its IUPAC name is N-(2-fluoropropyl)-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;4-hydroxy-1-[2-methyl-3-[[4-[(3-methylphenyl)methyl]-2-pyridinyl]amino]phenyl]butan-1-one;N-(2-methoxyethyl)-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;1-[4-methyl-3-[[4-[(3-methylphenyl)methyl]-2-pyridinyl]amino]phenyl]pentan-1-one;piperidin-1-yl-[3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]phenyl]methanone.

Molecular Properties

• Compound Name: N-(2-fluoropropyl)-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;4-hydroxy-1-[2-methyl-3-[[4-[(3-methylphenyl)methyl]-2-pyridinyl]amino]phenyl]butan-1-one;N-(2-methoxyethyl)-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;1-[4-methyl-3-[[4-[(3-methylphenyl)methyl]-2-pyridinyl]amino]phenyl]pentan-1-one;piperidin-1-yl-[3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]phenyl]methanone
• PubChem CID: 164967983
• Molecular Formula: C123H124F10N10O7
• Molecular Weight: 2044.39 g/mol
• Exact Mass: 2042.95
• IUPAC Name: N-(2-fluoropropyl)-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;4-hydroxy-1-[2-methyl-3-[[4-[(3-methylphenyl)methyl]-2-pyridinyl]amino]phenyl]butan-1-one;N-(2-methoxyethyl)-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;1-[4-methyl-3-[[4-[(3-methylphenyl)methyl]-2-pyridinyl]amino]phenyl]pentan-1-one;piperidin-1-yl-[3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]phenyl]methanone
• SMILES: CC(F)CNC(=O)c1cccc(Cc2cc(Cc3cccc(C(F)(F)F)c3)ccn2)c1.CCCCC(=O)c1ccc(C)c(Nc2cc(Cc3cccc(C)c3)ccn2)c1.COCCNC(=O)c1cccc(Cc2cc(Cc3cccc(C(F)(F)F)c3)ccn2)c1.Cc1cccc(Cc2ccnc(Nc3cccc(C(=O)CCCO)c3C)c2)c1.O=C(c1cccc(Cc2cc(Cc3cccc(C(F)(F)F)c3)ccn2)c1)N1CCCCC1
• InChI: InChI=1S/C26H25F3N2O.C25H28N2O.C24H22F4N2O.C24H23F3N2O2.C24H26N2O2/c27-26(28,29)23-9-5-7-19(16-23)14-21-10-11-30-24(18-21)17-20-6-4-8-22(15-20)25(32)31-12-2-1-3-13-31;1-4-5-9-24(28)22-11-10-19(3)23(17-22)27-25-16-21(12-13-26-25)15-20-8-6-7-18(2)14-20;1-16(25)15-30-23(31)20-6-2-4-18(11-20)13-22-14-19(8-9-29-22)10-17-5-3-7-21(12-17)24(26,27)28;1-31-11-10-29-23(30)20-6-2-4-18(13-20)15-22-16-19(8-9-28-22)12-17-5-3-7-21(14-17)24(25,26)27;1-17-6-3-7-19(14-17)15-20-11-12-25-24(16-20)26-22-9-4-8-21(18(22)2)23(28)10-5-13-27/h4-11,15-16,18H,1-3,12-14,17H2;6-8,10-14,16-17H,4-5,9,15H2,1-3H3,(H,26,27);2-9,11-12,14,16H,10,13,15H2,1H3,(H,30,31);2-9,13-14,16H,10-12,15H2,1H3,(H,29,30);3-4,6-9,11-12,14,16,27H,5,10,13,15H2,1-2H3,(H,25,26)
• InChIKey: CSRSBZFGEXGHQR-UHFFFAOYSA-N
• XLogP: 27.33
• TPSA: 230.62 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 14
• Rotatable Bonds: 36
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2044.39
LogP ≤ 5	27.33
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoropropyl)-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;4-hydroxy-1-[2-methyl-3-[[4-[(3-methylphenyl)methyl]-2-pyridinyl]amino]phenyl]butan-1-one;N-(2-methoxyethyl)-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;1-[4-methyl-3-[[4-[(3-methylphenyl)methyl]-2-pyridinyl]amino]phenyl]pentan-1-one;piperidin-1-yl-[3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]phenyl]methanone?

The IUPAC name of N-(2-fluoropropyl)-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;4-hydroxy-1-[2-methyl-3-[[4-[(3-methylphenyl)methyl]-2-pyridinyl]amino]phenyl]butan-1-one;N-(2-methoxyethyl)-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;1-[4-methyl-3-[[4-[(3-methylphenyl)methyl]-2-pyridinyl]amino]phenyl]pentan-1-one;piperidin-1-yl-[3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]phenyl]methanone (CID 164967983) is N-(2-fluoropropyl)-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;4-hydroxy-1-[2-methyl-3-[[4-[(3-methylphenyl)methyl]-2-pyridinyl]amino]phenyl]butan-1-one;N-(2-methoxyethyl)-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;1-[4-methyl-3-[[4-[(3-methylphenyl)methyl]-2-pyridinyl]amino]phenyl]pentan-1-one;piperidin-1-yl-[3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]phenyl]methanone.

What is the SMILES notation for N-(2-fluoropropyl)-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;4-hydroxy-1-[2-methyl-3-[[4-[(3-methylphenyl)methyl]-2-pyridinyl]amino]phenyl]butan-1-one;N-(2-methoxyethyl)-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;1-[4-methyl-3-[[4-[(3-methylphenyl)methyl]-2-pyridinyl]amino]phenyl]pentan-1-one;piperidin-1-yl-[3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]phenyl]methanone?

The canonical SMILES for N-(2-fluoropropyl)-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;4-hydroxy-1-[2-methyl-3-[[4-[(3-methylphenyl)methyl]-2-pyridinyl]amino]phenyl]butan-1-one;N-(2-methoxyethyl)-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;1-[4-methyl-3-[[4-[(3-methylphenyl)methyl]-2-pyridinyl]amino]phenyl]pentan-1-one;piperidin-1-yl-[3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]phenyl]methanone is CC(F)CNC(=O)c1cccc(Cc2cc(Cc3cccc(C(F)(F)F)c3)ccn2)c1.CCCCC(=O)c1ccc(C)c(Nc2cc(Cc3cccc(C)c3)ccn2)c1.COCCNC(=O)c1cccc(Cc2cc(Cc3cccc(C(F)(F)F)c3)ccn2)c1.Cc1cccc(Cc2ccnc(Nc3cccc(C(=O)CCCO)c3C)c2)c1.O=C(c1cccc(Cc2cc(Cc3cccc(C(F)(F)F)c3)ccn2)c1)N1CCCCC1.

What is the InChIKey of N-(2-fluoropropyl)-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;4-hydroxy-1-[2-methyl-3-[[4-[(3-methylphenyl)methyl]-2-pyridinyl]amino]phenyl]butan-1-one;N-(2-methoxyethyl)-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;1-[4-methyl-3-[[4-[(3-methylphenyl)methyl]-2-pyridinyl]amino]phenyl]pentan-1-one;piperidin-1-yl-[3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]phenyl]methanone?

The InChIKey is CSRSBZFGEXGHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N2O.C25H28N2O.C24H22F4N2O.C24H23F3N2O2.C24H26N2O2/c27-26(28,29)23-9-5-7-19(16-23)14-21-10-11-30-24(18-21)17-20-6-4-8-22(15-20)25(32)31-12-2-1-3-13-31;1-4-5-9-24(28)22-11-10-19(3)23(17-22)27-25-16-21(12-13-26-25)15-20-8-6-7-18(2)14-20;1-16(25)15-30-23(31)20-6-2-4-18(11-20)13-22-14-19(8-9-29-22)10-17-5-3-7-21(12-17)24(26,27)28;1-31-11-10-29-23(30)20-6-2-4-18(13-20)15-22-16-19(8-9-28-22)12-17-5-3-7-21(14-17)24(25,26)27;1-17-6-3-7-19(14-17)15-20-11-12-25-24(16-20)26-22-9-4-8-21(18(22)2)23(28)10-5-13-27/h4-11,15-16,18H,1-3,12-14,17H2;6-8,10-14,16-17H,4-5,9,15H2,1-3H3,(H,26,27);2-9,11-12,14,16H,10,13,15H2,1H3,(H,30,31);2-9,13-14,16H,10-12,15H2,1H3,(H,29,30);3-4,6-9,11-12,14,16,27H,5,10,13,15H2,1-2H3,(H,25,26).

What are the key properties of N-(2-fluoropropyl)-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;4-hydroxy-1-[2-methyl-3-[[4-[(3-methylphenyl)methyl]-2-pyridinyl]amino]phenyl]butan-1-one;N-(2-methoxyethyl)-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;1-[4-methyl-3-[[4-[(3-methylphenyl)methyl]-2-pyridinyl]amino]phenyl]pentan-1-one;piperidin-1-yl-[3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]phenyl]methanone?

N-(2-fluoropropyl)-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;4-hydroxy-1-[2-methyl-3-[[4-[(3-methylphenyl)methyl]-2-pyridinyl]amino]phenyl]butan-1-one;N-(2-methoxyethyl)-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;1-[4-methyl-3-[[4-[(3-methylphenyl)methyl]-2-pyridinyl]amino]phenyl]pentan-1-one;piperidin-1-yl-[3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]phenyl]methanone has a molecular weight of 2044.39 g/mol, XLogP of 27.33, 36 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-fluoropropyl)-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;4-hydroxy-1-[2-methyl-3-[[4-[(3-methylphenyl)methyl]-2-pyridinyl]amino]phenyl]butan-1-one;N-(2-methoxyethyl)-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;1-[4-methyl-3-[[4-[(3-methylphenyl)methyl]-2-pyridinyl]amino]phenyl]pentan-1-one;piperidin-1-yl-[3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]phenyl]methanone is sourced from PubChem (CID 164967983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).