4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[(4-chlorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide

C91H99Cl5F5N13O12 — CID 159637383

About 4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[(4-chlorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide

4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[(4-chlorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide (PubChem CID 159637383) has the molecular formula C91H99Cl5F5N13O12 and a molecular weight of 1839.13 g/mol. Its IUPAC name is 4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[(4-chlorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide.

Molecular Properties

• Compound Name: 4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[(4-chlorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide
• PubChem CID: 159637383
• Molecular Formula: C91H99Cl5F5N13O12
• Molecular Weight: 1839.13 g/mol
• Exact Mass: 1835.59
• IUPAC Name: 4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[(4-chlorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide
• SMILES: CC1CC2(NC(=O)COc3ccc(Cl)c(F)c3)CCC1(C(=O)NCc1ccn(C)n1)CC2.Cc1cc(OCC(=O)NC23CC(C(=O)NCc4ccc(C(F)(F)F)cn4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)NC23CC(C(=O)NCc4ccc(Cl)cc4)(C2)C3)ccc1Cl.Cc1cnc(CNC(=O)C23CCC(NC(=O)COc4ccc(Cl)c(F)c4)(CC2)CC3C)cn1
• InChI: InChI=1S/C24H28ClFN4O3.C23H28ClFN4O3.C22H22Cl2N2O3.C22H21ClF3N3O3/c1-15-10-23(30-21(31)14-33-18-3-4-19(25)20(26)9-18)5-7-24(15,8-6-23)22(32)29-13-17-12-27-16(2)11-28-17;1-15-12-22(27-20(30)14-32-17-3-4-18(24)19(25)11-17)6-8-23(15,9-7-22)21(31)26-13-16-5-10-29(2)28-16;1-14-8-17(6-7-18(14)24)29-10-19(27)26-22-11-21(12-22,13-22)20(28)25-9-15-2-4-16(23)5-3-15;1-13-6-16(4-5-17(13)23)32-9-18(30)29-21-10-20(11-21,12-21)19(31)28-8-15-3-2-14(7-27-15)22(24,25)26/h3-4,9,11-12,15H,5-8,10,13-14H2,1-2H3,(H,29,32)(H,30,31);3-5,10-11,15H,6-9,12-14H2,1-2H3,(H,26,31)(H,27,30);2-8H,9-13H2,1H3,(H,25,28)(H,26,27);2-7H,8-12H2,1H3,(H,28,31)(H,29,30)
• InChIKey: MPXLQXGCXUWOEE-UHFFFAOYSA-N
• XLogP: 14.92
• TPSA: 326.21 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 17
• Rotatable Bonds: 28
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1839.13
LogP ≤ 5	14.92
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[(4-chlorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide?

The IUPAC name of 4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[(4-chlorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide (CID 159637383) is 4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[(4-chlorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide.

What is the SMILES notation for 4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[(4-chlorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide?

The canonical SMILES for 4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[(4-chlorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide is CC1CC2(NC(=O)COc3ccc(Cl)c(F)c3)CCC1(C(=O)NCc1ccn(C)n1)CC2.Cc1cc(OCC(=O)NC23CC(C(=O)NCc4ccc(C(F)(F)F)cn4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)NC23CC(C(=O)NCc4ccc(Cl)cc4)(C2)C3)ccc1Cl.Cc1cnc(CNC(=O)C23CCC(NC(=O)COc4ccc(Cl)c(F)c4)(CC2)CC3C)cn1.

What is the InChIKey of 4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[(4-chlorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide?

The InChIKey is MPXLQXGCXUWOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClFN4O3.C23H28ClFN4O3.C22H22Cl2N2O3.C22H21ClF3N3O3/c1-15-10-23(30-21(31)14-33-18-3-4-19(25)20(26)9-18)5-7-24(15,8-6-23)22(32)29-13-17-12-27-16(2)11-28-17;1-15-12-22(27-20(30)14-32-17-3-4-18(24)19(25)11-17)6-8-23(15,9-7-22)21(31)26-13-16-5-10-29(2)28-16;1-14-8-17(6-7-18(14)24)29-10-19(27)26-22-11-21(12-22,13-22)20(28)25-9-15-2-4-16(23)5-3-15;1-13-6-16(4-5-17(13)23)32-9-18(30)29-21-10-20(11-21,12-21)19(31)28-8-15-3-2-14(7-27-15)22(24,25)26/h3-4,9,11-12,15H,5-8,10,13-14H2,1-2H3,(H,29,32)(H,30,31);3-5,10-11,15H,6-9,12-14H2,1-2H3,(H,26,31)(H,27,30);2-8H,9-13H2,1H3,(H,25,28)(H,26,27);2-7H,8-12H2,1H3,(H,28,31)(H,29,30).

What are the key properties of 4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[(4-chlorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide?

4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[(4-chlorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide has a molecular weight of 1839.13 g/mol, XLogP of 14.92, 28 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[(4-chlorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide is sourced from PubChem (CID 159637383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).