2-[2-[(5R)-3-acetyl-8-azabicyclo[3.2.1]octan-8-yl]-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)pyridine-4-carboxamide;3-[1,1-difluoro-2-[(5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-4-methyl-N-(3,4,5-trifluorophenyl)benzamide;3-[1,1-difluoro-2-[(5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-enyl]-N-(3,4-difluoro-5-methylphenyl)-4-fluorobenzamide;N-(3,4-difluoro-5-methylphenyl)-3-[2-(4-ethyl-4-hydroxypiperidin-1-yl)-1,1-difluoro-2-oxoethyl]-4-fluorobenzamide

C94H91F18N9O11 — CID 163437446

About 2-[2-[(5R)-3-acetyl-8-azabicyclo[3.2.1]octan-8-yl]-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)pyridine-4-carboxamide;3-[1,1-difluoro-2-[(5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-4-methyl-N-(3,4,5-trifluorophenyl)benzamide;3-[1,1-difluoro-2-[(5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-enyl]-N-(3,4-difluoro-5-methylphenyl)-4-fluorobenzamide;N-(3,4-difluoro-5-methylphenyl)-3-[2-(4-ethyl-4-hydroxypiperidin-1-yl)-1,1-difluoro-2-oxoethyl]-4-fluorobenzamide

2-[2-[(5R)-3-acetyl-8-azabicyclo[3.2.1]octan-8-yl]-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)pyridine-4-carboxamide;3-[1,1-difluoro-2-[(5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-4-methyl-N-(3,4,5-trifluorophenyl)benzamide;3-[1,1-difluoro-2-[(5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-enyl]-N-(3,4-difluoro-5-methylphenyl)-4-fluorobenzamide;N-(3,4-difluoro-5-methylphenyl)-3-[2-(4-ethyl-4-hydroxypiperidin-1-yl)-1,1-difluoro-2-oxoethyl]-4-fluorobenzamide (PubChem CID 163437446) has the molecular formula C94H91F18N9O11 and a molecular weight of 1864.78 g/mol. Its IUPAC name is 2-[2-[(5R)-3-acetyl-8-azabicyclo[3.2.1]octan-8-yl]-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)pyridine-4-carboxamide;3-[1,1-difluoro-2-[(5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-4-methyl-N-(3,4,5-trifluorophenyl)benzamide;3-[1,1-difluoro-2-[(5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-enyl]-N-(3,4-difluoro-5-methylphenyl)-4-fluorobenzamide;N-(3,4-difluoro-5-methylphenyl)-3-[2-(4-ethyl-4-hydroxypiperidin-1-yl)-1,1-difluoro-2-oxoethyl]-4-fluorobenzamide.

Molecular Properties

• Compound Name: 2-[2-[(5R)-3-acetyl-8-azabicyclo[3.2.1]octan-8-yl]-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)pyridine-4-carboxamide;3-[1,1-difluoro-2-[(5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-4-methyl-N-(3,4,5-trifluorophenyl)benzamide;3-[1,1-difluoro-2-[(5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-enyl]-N-(3,4-difluoro-5-methylphenyl)-4-fluorobenzamide;N-(3,4-difluoro-5-methylphenyl)-3-[2-(4-ethyl-4-hydroxypiperidin-1-yl)-1,1-difluoro-2-oxoethyl]-4-fluorobenzamide
• PubChem CID: 163437446
• Molecular Formula: C94H91F18N9O11
• Molecular Weight: 1864.78 g/mol
• Exact Mass: 1863.66
• IUPAC Name: 2-[2-[(5R)-3-acetyl-8-azabicyclo[3.2.1]octan-8-yl]-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)pyridine-4-carboxamide;3-[1,1-difluoro-2-[(5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-4-methyl-N-(3,4,5-trifluorophenyl)benzamide;3-[1,1-difluoro-2-[(5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-enyl]-N-(3,4-difluoro-5-methylphenyl)-4-fluorobenzamide;N-(3,4-difluoro-5-methylphenyl)-3-[2-(4-ethyl-4-hydroxypiperidin-1-yl)-1,1-difluoro-2-oxoethyl]-4-fluorobenzamide
• SMILES: C=C(N1C2CC[C@@H]1CC(O)C2)C(F)(F)c1cc(C(=O)Nc2cc(C)c(F)c(F)c2)ccc1F.CC(=O)C1CC2CC[C@H](C1)N2C(=O)C(F)(F)c1cc(C(=O)Nc2ccc(F)c(C)c2)ccn1.CCC1(O)CCN(C(=O)C(F)(F)c2cc(C(=O)Nc3cc(C)c(F)c(F)c3)ccc2F)CC1.Cc1ccc(C(=O)Nc2cc(F)c(F)c(F)c2)cc1C(F)(F)C(=O)N1C2CC[C@@H]1CC(O)C2
• InChI: InChI=1S/C24H23F5N2O2.C24H24F3N3O3.C23H21F5N2O3.C23H23F5N2O3/c1-12-7-15(9-21(26)22(12)27)30-23(33)14-3-6-20(25)19(8-14)24(28,29)13(2)31-16-4-5-17(31)11-18(32)10-16;1-13-9-17(3-6-20(13)25)29-22(32)15-7-8-28-21(12-15)24(26,27)23(33)30-18-4-5-19(30)11-16(10-18)14(2)31;1-11-2-3-12(21(32)29-13-7-18(24)20(26)19(25)8-13)6-17(11)23(27,28)22(33)30-14-4-5-15(30)10-16(31)9-14;1-3-22(33)6-8-30(9-7-22)21(32)23(27,28)16-11-14(4-5-17(16)24)20(31)29-15-10-13(2)19(26)18(25)12-15/h3,6-9,16-18,32H,2,4-5,10-11H2,1H3,(H,30,33);3,6-9,12,16,18-19H,4-5,10-11H2,1-2H3,(H,29,32);2-3,6-8,14-16,31H,4-5,9-10H2,1H3,(H,29,32);4-5,10-12,33H,3,6-9H2,1-2H3,(H,29,31)/t16-,17?,18?;16?,18-,19?;14-,15?,16?;/m111./s1
• InChIKey: AVROCDXGFXTLNT-PPEUFCPHSA-N
• XLogP: 18.28
• TPSA: 271.22 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 13
• Rotatable Bonds: 19
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1864.78
LogP ≤ 5	18.28
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5R)-3-acetyl-8-azabicyclo[3.2.1]octan-8-yl]-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)pyridine-4-carboxamide;3-[1,1-difluoro-2-[(5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-4-methyl-N-(3,4,5-trifluorophenyl)benzamide;3-[1,1-difluoro-2-[(5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-enyl]-N-(3,4-difluoro-5-methylphenyl)-4-fluorobenzamide;N-(3,4-difluoro-5-methylphenyl)-3-[2-(4-ethyl-4-hydroxypiperidin-1-yl)-1,1-difluoro-2-oxoethyl]-4-fluorobenzamide?

The IUPAC name of 2-[2-[(5R)-3-acetyl-8-azabicyclo[3.2.1]octan-8-yl]-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)pyridine-4-carboxamide;3-[1,1-difluoro-2-[(5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-4-methyl-N-(3,4,5-trifluorophenyl)benzamide;3-[1,1-difluoro-2-[(5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-enyl]-N-(3,4-difluoro-5-methylphenyl)-4-fluorobenzamide;N-(3,4-difluoro-5-methylphenyl)-3-[2-(4-ethyl-4-hydroxypiperidin-1-yl)-1,1-difluoro-2-oxoethyl]-4-fluorobenzamide (CID 163437446) is 2-[2-[(5R)-3-acetyl-8-azabicyclo[3.2.1]octan-8-yl]-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)pyridine-4-carboxamide;3-[1,1-difluoro-2-[(5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-4-methyl-N-(3,4,5-trifluorophenyl)benzamide;3-[1,1-difluoro-2-[(5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-enyl]-N-(3,4-difluoro-5-methylphenyl)-4-fluorobenzamide;N-(3,4-difluoro-5-methylphenyl)-3-[2-(4-ethyl-4-hydroxypiperidin-1-yl)-1,1-difluoro-2-oxoethyl]-4-fluorobenzamide.

What is the SMILES notation for 2-[2-[(5R)-3-acetyl-8-azabicyclo[3.2.1]octan-8-yl]-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)pyridine-4-carboxamide;3-[1,1-difluoro-2-[(5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-4-methyl-N-(3,4,5-trifluorophenyl)benzamide;3-[1,1-difluoro-2-[(5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-enyl]-N-(3,4-difluoro-5-methylphenyl)-4-fluorobenzamide;N-(3,4-difluoro-5-methylphenyl)-3-[2-(4-ethyl-4-hydroxypiperidin-1-yl)-1,1-difluoro-2-oxoethyl]-4-fluorobenzamide?

The canonical SMILES for 2-[2-[(5R)-3-acetyl-8-azabicyclo[3.2.1]octan-8-yl]-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)pyridine-4-carboxamide;3-[1,1-difluoro-2-[(5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-4-methyl-N-(3,4,5-trifluorophenyl)benzamide;3-[1,1-difluoro-2-[(5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-enyl]-N-(3,4-difluoro-5-methylphenyl)-4-fluorobenzamide;N-(3,4-difluoro-5-methylphenyl)-3-[2-(4-ethyl-4-hydroxypiperidin-1-yl)-1,1-difluoro-2-oxoethyl]-4-fluorobenzamide is C=C(N1C2CC[C@@H]1CC(O)C2)C(F)(F)c1cc(C(=O)Nc2cc(C)c(F)c(F)c2)ccc1F.CC(=O)C1CC2CC[C@H](C1)N2C(=O)C(F)(F)c1cc(C(=O)Nc2ccc(F)c(C)c2)ccn1.CCC1(O)CCN(C(=O)C(F)(F)c2cc(C(=O)Nc3cc(C)c(F)c(F)c3)ccc2F)CC1.Cc1ccc(C(=O)Nc2cc(F)c(F)c(F)c2)cc1C(F)(F)C(=O)N1C2CC[C@@H]1CC(O)C2.

What is the InChIKey of 2-[2-[(5R)-3-acetyl-8-azabicyclo[3.2.1]octan-8-yl]-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)pyridine-4-carboxamide;3-[1,1-difluoro-2-[(5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-4-methyl-N-(3,4,5-trifluorophenyl)benzamide;3-[1,1-difluoro-2-[(5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-enyl]-N-(3,4-difluoro-5-methylphenyl)-4-fluorobenzamide;N-(3,4-difluoro-5-methylphenyl)-3-[2-(4-ethyl-4-hydroxypiperidin-1-yl)-1,1-difluoro-2-oxoethyl]-4-fluorobenzamide?

The InChIKey is AVROCDXGFXTLNT-PPEUFCPHSA-N. The full InChI is InChI=1S/C24H23F5N2O2.C24H24F3N3O3.C23H21F5N2O3.C23H23F5N2O3/c1-12-7-15(9-21(26)22(12)27)30-23(33)14-3-6-20(25)19(8-14)24(28,29)13(2)31-16-4-5-17(31)11-18(32)10-16;1-13-9-17(3-6-20(13)25)29-22(32)15-7-8-28-21(12-15)24(26,27)23(33)30-18-4-5-19(30)11-16(10-18)14(2)31;1-11-2-3-12(21(32)29-13-7-18(24)20(26)19(25)8-13)6-17(11)23(27,28)22(33)30-14-4-5-15(30)10-16(31)9-14;1-3-22(33)6-8-30(9-7-22)21(32)23(27,28)16-11-14(4-5-17(16)24)20(31)29-15-10-13(2)19(26)18(25)12-15/h3,6-9,16-18,32H,2,4-5,10-11H2,1H3,(H,30,33);3,6-9,12,16,18-19H,4-5,10-11H2,1-2H3,(H,29,32);2-3,6-8,14-16,31H,4-5,9-10H2,1H3,(H,29,32);4-5,10-12,33H,3,6-9H2,1-2H3,(H,29,31)/t16-,17?,18?;16?,18-,19?;14-,15?,16?;/m111./s1.

What are the key properties of 2-[2-[(5R)-3-acetyl-8-azabicyclo[3.2.1]octan-8-yl]-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)pyridine-4-carboxamide;3-[1,1-difluoro-2-[(5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-4-methyl-N-(3,4,5-trifluorophenyl)benzamide;3-[1,1-difluoro-2-[(5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-enyl]-N-(3,4-difluoro-5-methylphenyl)-4-fluorobenzamide;N-(3,4-difluoro-5-methylphenyl)-3-[2-(4-ethyl-4-hydroxypiperidin-1-yl)-1,1-difluoro-2-oxoethyl]-4-fluorobenzamide?

2-[2-[(5R)-3-acetyl-8-azabicyclo[3.2.1]octan-8-yl]-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)pyridine-4-carboxamide;3-[1,1-difluoro-2-[(5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-4-methyl-N-(3,4,5-trifluorophenyl)benzamide;3-[1,1-difluoro-2-[(5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-enyl]-N-(3,4-difluoro-5-methylphenyl)-4-fluorobenzamide;N-(3,4-difluoro-5-methylphenyl)-3-[2-(4-ethyl-4-hydroxypiperidin-1-yl)-1,1-difluoro-2-oxoethyl]-4-fluorobenzamide has a molecular weight of 1864.78 g/mol, XLogP of 18.28, 19 rotatable bonds, 7 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[(5R)-3-acetyl-8-azabicyclo[3.2.1]octan-8-yl]-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)pyridine-4-carboxamide;3-[1,1-difluoro-2-[(5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-4-methyl-N-(3,4,5-trifluorophenyl)benzamide;3-[1,1-difluoro-2-[(5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-enyl]-N-(3,4-difluoro-5-methylphenyl)-4-fluorobenzamide;N-(3,4-difluoro-5-methylphenyl)-3-[2-(4-ethyl-4-hydroxypiperidin-1-yl)-1,1-difluoro-2-oxoethyl]-4-fluorobenzamide is sourced from PubChem (CID 163437446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).