N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-(trifluoromethoxy)pyridine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-ethyl-1,4,2-dioxazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methyl-1,3-oxazol-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]quinoxaline-2-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-(1,2,4-triazol-1-yl)pyridine-2-carboxamide

C109H106Cl5F6N15O19 — CID 162287960

About N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-(trifluoromethoxy)pyridine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-ethyl-1,4,2-dioxazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methyl-1,3-oxazol-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]quinoxaline-2-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-(1,2,4-triazol-1-yl)pyridine-2-carboxamide

N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-(trifluoromethoxy)pyridine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-ethyl-1,4,2-dioxazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methyl-1,3-oxazol-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]quinoxaline-2-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-(1,2,4-triazol-1-yl)pyridine-2-carboxamide (PubChem CID 162287960) has the molecular formula C109H106Cl5F6N15O19 and a molecular weight of 2221.39 g/mol. Its IUPAC name is N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-(trifluoromethoxy)pyridine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-ethyl-1,4,2-dioxazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methyl-1,3-oxazol-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]quinoxaline-2-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-(1,2,4-triazol-1-yl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-(trifluoromethoxy)pyridine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-ethyl-1,4,2-dioxazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methyl-1,3-oxazol-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]quinoxaline-2-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-(1,2,4-triazol-1-yl)pyridine-2-carboxamide
• PubChem CID: 162287960
• Molecular Formula: C109H106Cl5F6N15O19
• Molecular Weight: 2221.39 g/mol
• Exact Mass: 2217.61
• IUPAC Name: N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-(trifluoromethoxy)pyridine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-ethyl-1,4,2-dioxazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methyl-1,3-oxazol-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]quinoxaline-2-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-(1,2,4-triazol-1-yl)pyridine-2-carboxamide
• SMILES: CC1CC2(NC(=O)c3ccc(OC(F)(F)F)cn3)CCC1(NC(=O)COc1ccc(Cl)c(F)c1)CC2.CCC1=NOC(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)O1.Cc1cc(OCC(=O)CC23CC(NC(=O)c4cc(-n5cncn5)ccn4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)CC23CC(NC(=O)c4cnc5ccccc5n4)(C2)C3)ccc1Cl.Cc1cnc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)o1
• InChI: InChI=1S/C24H24ClF4N3O4.C24H22ClN3O3.C23H22ClN5O3.C19H20ClFN2O5.C19H18ClFN2O4/c1-14-11-22(32-21(34)19-5-3-16(12-30-19)36-24(27,28)29)6-8-23(14,9-7-22)31-20(33)13-35-15-2-4-17(25)18(26)10-15;1-15-8-17(6-7-18(15)25)31-11-16(29)9-23-12-24(13-23,14-23)28-22(30)21-10-26-19-4-2-3-5-20(19)27-21;1-15-6-18(2-3-19(15)24)32-9-17(30)8-22-10-23(11-22,12-22)28-21(31)20-7-16(4-5-26-20)29-14-25-13-27-29;1-2-16-23-28-17(27-16)14(24)6-18-8-19(9-18,10-18)22-15(25)7-26-11-3-4-12(20)13(21)5-11;1-11-6-22-17(27-11)15(24)5-18-8-19(9-18,10-18)23-16(25)7-26-12-2-3-13(20)14(21)4-12/h2-5,10,12,14H,6-9,11,13H2,1H3,(H,31,33)(H,32,34);2-8,10H,9,11-14H2,1H3,(H,28,30);2-7,13-14H,8-12H2,1H3,(H,28,31);3-5,17H,2,6-10H2,1H3,(H,22,25);2-4,6H,5,7-10H2,1H3,(H,23,25)
• InChIKey: HBKKSJDGWPDLQW-UHFFFAOYSA-N
• XLogP: 18.80
• TPSA: 437.38 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 37
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2221.39
LogP ≤ 5	18.80
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-(trifluoromethoxy)pyridine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-ethyl-1,4,2-dioxazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methyl-1,3-oxazol-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]quinoxaline-2-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-(1,2,4-triazol-1-yl)pyridine-2-carboxamide?

The IUPAC name of N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-(trifluoromethoxy)pyridine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-ethyl-1,4,2-dioxazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methyl-1,3-oxazol-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]quinoxaline-2-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-(1,2,4-triazol-1-yl)pyridine-2-carboxamide (CID 162287960) is N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-(trifluoromethoxy)pyridine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-ethyl-1,4,2-dioxazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methyl-1,3-oxazol-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]quinoxaline-2-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-(1,2,4-triazol-1-yl)pyridine-2-carboxamide.

What is the SMILES notation for N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-(trifluoromethoxy)pyridine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-ethyl-1,4,2-dioxazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methyl-1,3-oxazol-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]quinoxaline-2-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-(1,2,4-triazol-1-yl)pyridine-2-carboxamide?

The canonical SMILES for N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-(trifluoromethoxy)pyridine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-ethyl-1,4,2-dioxazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methyl-1,3-oxazol-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]quinoxaline-2-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-(1,2,4-triazol-1-yl)pyridine-2-carboxamide is CC1CC2(NC(=O)c3ccc(OC(F)(F)F)cn3)CCC1(NC(=O)COc1ccc(Cl)c(F)c1)CC2.CCC1=NOC(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)O1.Cc1cc(OCC(=O)CC23CC(NC(=O)c4cc(-n5cncn5)ccn4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)CC23CC(NC(=O)c4cnc5ccccc5n4)(C2)C3)ccc1Cl.Cc1cnc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)o1.

What is the InChIKey of N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-(trifluoromethoxy)pyridine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-ethyl-1,4,2-dioxazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methyl-1,3-oxazol-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]quinoxaline-2-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-(1,2,4-triazol-1-yl)pyridine-2-carboxamide?

The InChIKey is HBKKSJDGWPDLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClF4N3O4.C24H22ClN3O3.C23H22ClN5O3.C19H20ClFN2O5.C19H18ClFN2O4/c1-14-11-22(32-21(34)19-5-3-16(12-30-19)36-24(27,28)29)6-8-23(14,9-7-22)31-20(33)13-35-15-2-4-17(25)18(26)10-15;1-15-8-17(6-7-18(15)25)31-11-16(29)9-23-12-24(13-23,14-23)28-22(30)21-10-26-19-4-2-3-5-20(19)27-21;1-15-6-18(2-3-19(15)24)32-9-17(30)8-22-10-23(11-22,12-22)28-21(31)20-7-16(4-5-26-20)29-14-25-13-27-29;1-2-16-23-28-17(27-16)14(24)6-18-8-19(9-18,10-18)22-15(25)7-26-11-3-4-12(20)13(21)5-11;1-11-6-22-17(27-11)15(24)5-18-8-19(9-18,10-18)23-16(25)7-26-12-2-3-13(20)14(21)4-12/h2-5,10,12,14H,6-9,11,13H2,1H3,(H,31,33)(H,32,34);2-8,10H,9,11-14H2,1H3,(H,28,30);2-7,13-14H,8-12H2,1H3,(H,28,31);3-5,17H,2,6-10H2,1H3,(H,22,25);2-4,6H,5,7-10H2,1H3,(H,23,25).

What are the key properties of N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-(trifluoromethoxy)pyridine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-ethyl-1,4,2-dioxazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methyl-1,3-oxazol-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]quinoxaline-2-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-(1,2,4-triazol-1-yl)pyridine-2-carboxamide?

N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-(trifluoromethoxy)pyridine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-ethyl-1,4,2-dioxazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methyl-1,3-oxazol-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]quinoxaline-2-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-(1,2,4-triazol-1-yl)pyridine-2-carboxamide has a molecular weight of 2221.39 g/mol, XLogP of 18.80, 37 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-(trifluoromethoxy)pyridine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-ethyl-1,4,2-dioxazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methyl-1,3-oxazol-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]quinoxaline-2-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-(1,2,4-triazol-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 162287960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).