N-[3-[2-[5-(acetamidomethyl)furan-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;N-[3-[2-(4-chloro-1,5-dimethylpyrazol-3-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2,3-dimethylquinoxalin-6-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]imidazo[1,5-a]pyridine-1-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethyl)pyridine-2-carboxamide

C112H107Cl6F6N13O17 — CID 158159497

About N-[3-[2-[5-(acetamidomethyl)furan-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;N-[3-[2-(4-chloro-1,5-dimethylpyrazol-3-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2,3-dimethylquinoxalin-6-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]imidazo[1,5-a]pyridine-1-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[3-[2-[5-(acetamidomethyl)furan-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;N-[3-[2-(4-chloro-1,5-dimethylpyrazol-3-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2,3-dimethylquinoxalin-6-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]imidazo[1,5-a]pyridine-1-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 158159497) has the molecular formula C112H107Cl6F6N13O17 and a molecular weight of 2233.87 g/mol. Its IUPAC name is N-[3-[2-[5-(acetamidomethyl)furan-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;N-[3-[2-(4-chloro-1,5-dimethylpyrazol-3-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2,3-dimethylquinoxalin-6-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]imidazo[1,5-a]pyridine-1-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[2-[5-(acetamidomethyl)furan-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;N-[3-[2-(4-chloro-1,5-dimethylpyrazol-3-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2,3-dimethylquinoxalin-6-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]imidazo[1,5-a]pyridine-1-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethyl)pyridine-2-carboxamide
• PubChem CID: 158159497
• Molecular Formula: C112H107Cl6F6N13O17
• Molecular Weight: 2233.87 g/mol
• Exact Mass: 2229.59
• IUPAC Name: N-[3-[2-[5-(acetamidomethyl)furan-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;N-[3-[2-(4-chloro-1,5-dimethylpyrazol-3-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2,3-dimethylquinoxalin-6-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]imidazo[1,5-a]pyridine-1-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethyl)pyridine-2-carboxamide
• SMILES: CC(=O)NCc1ccc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)o1.Cc1c(Cl)c(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)nn1C.Cc1cc(OCC(=O)CC23CC(NC(=O)c4cccc(C(F)(F)F)n4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)CC23CC(NC(=O)c4ncn5ccccc45)(C2)C3)ccc1Cl.Cc1nc2ccc(C(=O)CC34CC(NC(=O)COc5ccc(Cl)c(F)c5)(C3)C4)cc2nc1C
• InChI: InChI=1S/C25H23ClFN3O3.C23H22ClN3O3.C22H20ClF3N2O3.C22H22ClFN2O5.C20H20Cl2FN3O3/c1-14-15(2)29-21-7-16(3-6-20(21)28-14)22(31)9-24-11-25(12-24,13-24)30-23(32)10-33-17-4-5-18(26)19(27)8-17;1-15-8-17(5-6-18(15)24)30-10-16(28)9-22-11-23(12-22,13-22)26-21(29)20-19-4-2-3-7-27(19)14-25-20;1-13-7-15(5-6-16(13)23)31-9-14(29)8-20-10-21(11-20,12-20)28-19(30)17-3-2-4-18(27-17)22(24,25)26;1-13(27)25-8-15-3-5-19(31-15)18(28)7-21-10-22(11-21,12-21)26-20(29)9-30-14-2-4-16(23)17(24)6-14;1-11-17(22)18(25-26(11)2)15(27)6-19-8-20(9-19,10-19)24-16(28)7-29-12-3-4-13(21)14(23)5-12/h3-8H,9-13H2,1-2H3,(H,30,32);2-8,14H,9-13H2,1H3,(H,26,29);2-7H,8-12H2,1H3,(H,28,30);2-6H,7-12H2,1H3,(H,25,27)(H,26,29);3-5H,6-10H2,1-2H3,(H,24,28)
• InChIKey: FWCGJYUUYPEKID-UHFFFAOYSA-N
• XLogP: 20.73
• TPSA: 393.03 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 37
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2233.87
LogP ≤ 5	20.73
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[5-(acetamidomethyl)furan-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;N-[3-[2-(4-chloro-1,5-dimethylpyrazol-3-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2,3-dimethylquinoxalin-6-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]imidazo[1,5-a]pyridine-1-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethyl)pyridine-2-carboxamide?

The IUPAC name of N-[3-[2-[5-(acetamidomethyl)furan-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;N-[3-[2-(4-chloro-1,5-dimethylpyrazol-3-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2,3-dimethylquinoxalin-6-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]imidazo[1,5-a]pyridine-1-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 158159497) is N-[3-[2-[5-(acetamidomethyl)furan-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;N-[3-[2-(4-chloro-1,5-dimethylpyrazol-3-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2,3-dimethylquinoxalin-6-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]imidazo[1,5-a]pyridine-1-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethyl)pyridine-2-carboxamide.

What is the SMILES notation for N-[3-[2-[5-(acetamidomethyl)furan-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;N-[3-[2-(4-chloro-1,5-dimethylpyrazol-3-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2,3-dimethylquinoxalin-6-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]imidazo[1,5-a]pyridine-1-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethyl)pyridine-2-carboxamide?

The canonical SMILES for N-[3-[2-[5-(acetamidomethyl)furan-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;N-[3-[2-(4-chloro-1,5-dimethylpyrazol-3-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2,3-dimethylquinoxalin-6-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]imidazo[1,5-a]pyridine-1-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethyl)pyridine-2-carboxamide is CC(=O)NCc1ccc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)o1.Cc1c(Cl)c(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)nn1C.Cc1cc(OCC(=O)CC23CC(NC(=O)c4cccc(C(F)(F)F)n4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)CC23CC(NC(=O)c4ncn5ccccc45)(C2)C3)ccc1Cl.Cc1nc2ccc(C(=O)CC34CC(NC(=O)COc5ccc(Cl)c(F)c5)(C3)C4)cc2nc1C.

What is the InChIKey of N-[3-[2-[5-(acetamidomethyl)furan-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;N-[3-[2-(4-chloro-1,5-dimethylpyrazol-3-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2,3-dimethylquinoxalin-6-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]imidazo[1,5-a]pyridine-1-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethyl)pyridine-2-carboxamide?

The InChIKey is FWCGJYUUYPEKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClFN3O3.C23H22ClN3O3.C22H20ClF3N2O3.C22H22ClFN2O5.C20H20Cl2FN3O3/c1-14-15(2)29-21-7-16(3-6-20(21)28-14)22(31)9-24-11-25(12-24,13-24)30-23(32)10-33-17-4-5-18(26)19(27)8-17;1-15-8-17(5-6-18(15)24)30-10-16(28)9-22-11-23(12-22,13-22)26-21(29)20-19-4-2-3-7-27(19)14-25-20;1-13-7-15(5-6-16(13)23)31-9-14(29)8-20-10-21(11-20,12-20)28-19(30)17-3-2-4-18(27-17)22(24,25)26;1-13(27)25-8-15-3-5-19(31-15)18(28)7-21-10-22(11-21,12-21)26-20(29)9-30-14-2-4-16(23)17(24)6-14;1-11-17(22)18(25-26(11)2)15(27)6-19-8-20(9-19,10-19)24-16(28)7-29-12-3-4-13(21)14(23)5-12/h3-8H,9-13H2,1-2H3,(H,30,32);2-8,14H,9-13H2,1H3,(H,26,29);2-7H,8-12H2,1H3,(H,28,30);2-6H,7-12H2,1H3,(H,25,27)(H,26,29);3-5H,6-10H2,1-2H3,(H,24,28).

What are the key properties of N-[3-[2-[5-(acetamidomethyl)furan-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;N-[3-[2-(4-chloro-1,5-dimethylpyrazol-3-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2,3-dimethylquinoxalin-6-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]imidazo[1,5-a]pyridine-1-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethyl)pyridine-2-carboxamide?

N-[3-[2-[5-(acetamidomethyl)furan-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;N-[3-[2-(4-chloro-1,5-dimethylpyrazol-3-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2,3-dimethylquinoxalin-6-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]imidazo[1,5-a]pyridine-1-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 2233.87 g/mol, XLogP of 20.73, 37 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-[5-(acetamidomethyl)furan-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;N-[3-[2-(4-chloro-1,5-dimethylpyrazol-3-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2,3-dimethylquinoxalin-6-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]imidazo[1,5-a]pyridine-1-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 158159497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).