N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3,5-dimethylpyrazine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-methyl-1,3-thiazol-5-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]-5-[(E)-2-cyclopropylethenyl]pyridine-2-carboxamide;1-[3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]amino]-1-bicyclo[1.1.1]pentanyl]-3-(4-methylphenoxy)propan-2-one

C92H95Cl4F2N11O12S — CID 158496041

About N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3,5-dimethylpyrazine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-methyl-1,3-thiazol-5-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]-5-[(E)-2-cyclopropylethenyl]pyridine-2-carboxamide;1-[3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]amino]-1-bicyclo[1.1.1]pentanyl]-3-(4-methylphenoxy)propan-2-one

N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3,5-dimethylpyrazine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-methyl-1,3-thiazol-5-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]-5-[(E)-2-cyclopropylethenyl]pyridine-2-carboxamide;1-[3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]amino]-1-bicyclo[1.1.1]pentanyl]-3-(4-methylphenoxy)propan-2-one (PubChem CID 158496041) has the molecular formula C92H95Cl4F2N11O12S and a molecular weight of 1758.71 g/mol. Its IUPAC name is N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3,5-dimethylpyrazine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-methyl-1,3-thiazol-5-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]-5-[(E)-2-cyclopropylethenyl]pyridine-2-carboxamide;1-[3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]amino]-1-bicyclo[1.1.1]pentanyl]-3-(4-methylphenoxy)propan-2-one.

Molecular Properties

• Compound Name: N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3,5-dimethylpyrazine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-methyl-1,3-thiazol-5-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]-5-[(E)-2-cyclopropylethenyl]pyridine-2-carboxamide;1-[3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]amino]-1-bicyclo[1.1.1]pentanyl]-3-(4-methylphenoxy)propan-2-one
• PubChem CID: 158496041
• Molecular Formula: C92H95Cl4F2N11O12S
• Molecular Weight: 1758.71 g/mol
• Exact Mass: 1755.56
• IUPAC Name: N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3,5-dimethylpyrazine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-methyl-1,3-thiazol-5-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]-5-[(E)-2-cyclopropylethenyl]pyridine-2-carboxamide;1-[3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]amino]-1-bicyclo[1.1.1]pentanyl]-3-(4-methylphenoxy)propan-2-one
• SMILES: Cc1cc(OCC(=O)CC23CC(NC(=O)c4ccc(/C=C/C5CC5)cn4)(C2)C3)ccc1Cl.Cc1ccc(OCC(=O)CC23CC(Nc4nc(-c5ccc(Cl)cc5)no4)(C2)C3)cc1.Cc1cnc(C(=O)NC23CCC(NC(=O)COc4ccc(Cl)c(F)c4)(CC2)C(C)C3)c(C)n1.Cc1ncc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)s1
• InChI: InChI=1S/C26H27ClN2O3.C24H28ClFN4O3.C23H22ClN3O3.C19H18ClFN2O3S/c1-17-10-21(7-8-22(17)27)32-13-20(30)11-25-14-26(15-25,16-25)29-24(31)23-9-6-19(12-28-23)5-4-18-2-3-18;1-14-11-23(30-22(32)21-16(3)28-15(2)12-27-21)6-8-24(14,9-7-23)29-20(31)13-33-17-4-5-18(25)19(26)10-17;1-15-2-8-19(9-3-15)29-11-18(28)10-22-12-23(13-22,14-22)26-21-25-20(27-30-21)16-4-6-17(24)7-5-16;1-11-22-6-16(27-11)15(24)5-18-8-19(9-18,10-18)23-17(25)7-26-12-2-3-13(20)14(21)4-12/h4-10,12,18H,2-3,11,13-16H2,1H3,(H,29,31);4-5,10,12,14H,6-9,11,13H2,1-3H3,(H,29,31)(H,30,32);2-9H,10-14H2,1H3,(H,25,26,27);2-4,6H,5,7-10H2,1H3,(H,23,25)/b5-4+
• InChIKey: HJHMZALWTBYZMN-WVFFXBQBSA-N
• XLogP: 18.07
• TPSA: 307.04 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 30
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1758.71
LogP ≤ 5	18.07
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

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]-3,5-dimethylpyrazine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-methyl-1,3-thiazol-5-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]-5-[(E)-2-cyclopropylethenyl]pyridine-2-carboxamide;1-[3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]amino]-1-bicyclo[1.1.1]pentanyl]-3-(4-methylphenoxy)propan-2-one?

The IUPAC name of N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3,5-dimethylpyrazine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-methyl-1,3-thiazol-5-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]-5-[(E)-2-cyclopropylethenyl]pyridine-2-carboxamide;1-[3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]amino]-1-bicyclo[1.1.1]pentanyl]-3-(4-methylphenoxy)propan-2-one (CID 158496041) is N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3,5-dimethylpyrazine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-methyl-1,3-thiazol-5-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]-5-[(E)-2-cyclopropylethenyl]pyridine-2-carboxamide;1-[3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]amino]-1-bicyclo[1.1.1]pentanyl]-3-(4-methylphenoxy)propan-2-one.

What is the SMILES notation for N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3,5-dimethylpyrazine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-methyl-1,3-thiazol-5-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]-5-[(E)-2-cyclopropylethenyl]pyridine-2-carboxamide;1-[3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]amino]-1-bicyclo[1.1.1]pentanyl]-3-(4-methylphenoxy)propan-2-one?

The canonical SMILES for N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3,5-dimethylpyrazine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-methyl-1,3-thiazol-5-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]-5-[(E)-2-cyclopropylethenyl]pyridine-2-carboxamide;1-[3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]amino]-1-bicyclo[1.1.1]pentanyl]-3-(4-methylphenoxy)propan-2-one is Cc1cc(OCC(=O)CC23CC(NC(=O)c4ccc(/C=C/C5CC5)cn4)(C2)C3)ccc1Cl.Cc1ccc(OCC(=O)CC23CC(Nc4nc(-c5ccc(Cl)cc5)no4)(C2)C3)cc1.Cc1cnc(C(=O)NC23CCC(NC(=O)COc4ccc(Cl)c(F)c4)(CC2)C(C)C3)c(C)n1.Cc1ncc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)s1.

What is the InChIKey of N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3,5-dimethylpyrazine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-methyl-1,3-thiazol-5-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]-5-[(E)-2-cyclopropylethenyl]pyridine-2-carboxamide;1-[3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]amino]-1-bicyclo[1.1.1]pentanyl]-3-(4-methylphenoxy)propan-2-one?

The InChIKey is HJHMZALWTBYZMN-WVFFXBQBSA-N. The full InChI is InChI=1S/C26H27ClN2O3.C24H28ClFN4O3.C23H22ClN3O3.C19H18ClFN2O3S/c1-17-10-21(7-8-22(17)27)32-13-20(30)11-25-14-26(15-25,16-25)29-24(31)23-9-6-19(12-28-23)5-4-18-2-3-18;1-14-11-23(30-22(32)21-16(3)28-15(2)12-27-21)6-8-24(14,9-7-23)29-20(31)13-33-17-4-5-18(25)19(26)10-17;1-15-2-8-19(9-3-15)29-11-18(28)10-22-12-23(13-22,14-22)26-21-25-20(27-30-21)16-4-6-17(24)7-5-16;1-11-22-6-16(27-11)15(24)5-18-8-19(9-18,10-18)23-17(25)7-26-12-2-3-13(20)14(21)4-12/h4-10,12,18H,2-3,11,13-16H2,1H3,(H,29,31);4-5,10,12,14H,6-9,11,13H2,1-3H3,(H,29,31)(H,30,32);2-9H,10-14H2,1H3,(H,25,26,27);2-4,6H,5,7-10H2,1H3,(H,23,25)/b5-4+;;;.

What are the key properties of N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3,5-dimethylpyrazine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-methyl-1,3-thiazol-5-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]-5-[(E)-2-cyclopropylethenyl]pyridine-2-carboxamide;1-[3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]amino]-1-bicyclo[1.1.1]pentanyl]-3-(4-methylphenoxy)propan-2-one?

N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3,5-dimethylpyrazine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-methyl-1,3-thiazol-5-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]-5-[(E)-2-cyclopropylethenyl]pyridine-2-carboxamide;1-[3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]amino]-1-bicyclo[1.1.1]pentanyl]-3-(4-methylphenoxy)propan-2-one has a molecular weight of 1758.71 g/mol, XLogP of 18.07, 30 rotatable bonds, 5 hydrogen bond donors, and 20 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]-3,5-dimethylpyrazine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-methyl-1,3-thiazol-5-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]-5-[(E)-2-cyclopropylethenyl]pyridine-2-carboxamide;1-[3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]amino]-1-bicyclo[1.1.1]pentanyl]-3-(4-methylphenoxy)propan-2-one is sourced from PubChem (CID 158496041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).