3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[3-(1,1-difluoroethyl)-4-fluorophenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1-methylpyrazol-3-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methyl-1,3-thiazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chlorophenoxy)acetyl]amino]-N-[2-(4-methylphenoxy)ethyl]bicyclo[1.1.1]pentane-1-carboxamide;N-[3-[4-(4-fluorophenoxy)butanoyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-methylphenoxy)acetamide;2-(4-methylphenoxy)-N-[3-[4-(3-methylphenoxy)butanoyl]-1-bicyclo[1.1.1]pentanyl]acetamide

C133H140Cl4F7N13O21S — CID 161194064

About 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[3-(1,1-difluoroethyl)-4-fluorophenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1-methylpyrazol-3-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methyl-1,3-thiazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chlorophenoxy)acetyl]amino]-N-[2-(4-methylphenoxy)ethyl]bicyclo[1.1.1]pentane-1-carboxamide;N-[3-[4-(4-fluorophenoxy)butanoyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-methylphenoxy)acetamide;2-(4-methylphenoxy)-N-[3-[4-(3-methylphenoxy)butanoyl]-1-bicyclo[1.1.1]pentanyl]acetamide

3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[3-(1,1-difluoroethyl)-4-fluorophenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1-methylpyrazol-3-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methyl-1,3-thiazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chlorophenoxy)acetyl]amino]-N-[2-(4-methylphenoxy)ethyl]bicyclo[1.1.1]pentane-1-carboxamide;N-[3-[4-(4-fluorophenoxy)butanoyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-methylphenoxy)acetamide;2-(4-methylphenoxy)-N-[3-[4-(3-methylphenoxy)butanoyl]-1-bicyclo[1.1.1]pentanyl]acetamide (PubChem CID 161194064) has the molecular formula C133H140Cl4F7N13O21S and a molecular weight of 2563.52 g/mol. Its IUPAC name is 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[3-(1,1-difluoroethyl)-4-fluorophenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1-methylpyrazol-3-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methyl-1,3-thiazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chlorophenoxy)acetyl]amino]-N-[2-(4-methylphenoxy)ethyl]bicyclo[1.1.1]pentane-1-carboxamide;N-[3-[4-(4-fluorophenoxy)butanoyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-methylphenoxy)acetamide;2-(4-methylphenoxy)-N-[3-[4-(3-methylphenoxy)butanoyl]-1-bicyclo[1.1.1]pentanyl]acetamide.

Molecular Properties

• Compound Name: 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[3-(1,1-difluoroethyl)-4-fluorophenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1-methylpyrazol-3-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methyl-1,3-thiazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chlorophenoxy)acetyl]amino]-N-[2-(4-methylphenoxy)ethyl]bicyclo[1.1.1]pentane-1-carboxamide;N-[3-[4-(4-fluorophenoxy)butanoyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-methylphenoxy)acetamide;2-(4-methylphenoxy)-N-[3-[4-(3-methylphenoxy)butanoyl]-1-bicyclo[1.1.1]pentanyl]acetamide
• PubChem CID: 161194064
• Molecular Formula: C133H140Cl4F7N13O21S
• Molecular Weight: 2563.52 g/mol
• Exact Mass: 2559.86
• IUPAC Name: 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[3-(1,1-difluoroethyl)-4-fluorophenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1-methylpyrazol-3-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methyl-1,3-thiazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chlorophenoxy)acetyl]amino]-N-[2-(4-methylphenoxy)ethyl]bicyclo[1.1.1]pentane-1-carboxamide;N-[3-[4-(4-fluorophenoxy)butanoyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-methylphenoxy)acetamide;2-(4-methylphenoxy)-N-[3-[4-(3-methylphenoxy)butanoyl]-1-bicyclo[1.1.1]pentanyl]acetamide
• SMILES: CC(F)(F)c1cc(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)ccc1F.Cc1ccc(OCC(=O)NC23CC(C(=O)CCCOc4ccc(F)cc4)(C2)C3)cc1.Cc1ccc(OCC(=O)NC23CC(C(=O)CCCOc4cccc(C)c4)(C2)C3)cc1.Cc1ccc(OCCNC(=O)C23CC(NC(=O)COc4ccc(Cl)cc4)(C2)C3)cc1.Cc1cnc(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)s1.Cn1ccc(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)n1
• InChI: InChI=1S/C25H29NO4.C24H26FNO4.C23H21ClF4N2O3.C23H25ClN2O4.C19H20ClFN4O3.C19H19ClFN3O3S/c1-18-8-10-20(11-9-18)30-14-23(28)26-25-15-24(16-25,17-25)22(27)7-4-12-29-21-6-3-5-19(2)13-21;1-17-4-8-20(9-5-17)30-13-22(28)26-24-14-23(15-24,16-24)21(27)3-2-12-29-19-10-6-18(25)7-11-19;1-21(27,28)15-6-13(2-5-17(15)25)8-29-20(32)22-10-23(11-22,12-22)30-19(31)9-33-14-3-4-16(24)18(26)7-14;1-16-2-6-18(7-3-16)29-11-10-25-21(28)22-13-23(14-22,15-22)26-20(27)12-30-19-8-4-17(24)5-9-19;1-25-5-4-12(24-25)7-22-17(27)18-9-19(10-18,11-18)23-16(26)8-28-13-2-3-14(20)15(21)6-13;1-11-5-22-16(28-11)6-23-17(26)18-8-19(9-18,10-18)24-15(25)7-27-12-2-3-13(20)14(21)4-12/h3,5-6,8-11,13H,4,7,12,14-17H2,1-2H3,(H,26,28);4-11H,2-3,12-16H2,1H3,(H,26,28);2-7H,8-12H2,1H3,(H,29,32)(H,30,31);2-9H,10-15H2,1H3,(H,25,28)(H,26,27);2-6H,7-11H2,1H3,(H,22,27)(H,23,26);2-5H,6-10H2,1H3,(H,23,26)(H,24,25)
• InChIKey: UUCOUCIWJODKJN-UHFFFAOYSA-N
• XLogP: 20.78
• TPSA: 438.92 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 25
• Rotatable Bonds: 51
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2563.52
LogP ≤ 5	20.78
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[3-(1,1-difluoroethyl)-4-fluorophenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1-methylpyrazol-3-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methyl-1,3-thiazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chlorophenoxy)acetyl]amino]-N-[2-(4-methylphenoxy)ethyl]bicyclo[1.1.1]pentane-1-carboxamide;N-[3-[4-(4-fluorophenoxy)butanoyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-methylphenoxy)acetamide;2-(4-methylphenoxy)-N-[3-[4-(3-methylphenoxy)butanoyl]-1-bicyclo[1.1.1]pentanyl]acetamide?

The IUPAC name of 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[3-(1,1-difluoroethyl)-4-fluorophenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1-methylpyrazol-3-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methyl-1,3-thiazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chlorophenoxy)acetyl]amino]-N-[2-(4-methylphenoxy)ethyl]bicyclo[1.1.1]pentane-1-carboxamide;N-[3-[4-(4-fluorophenoxy)butanoyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-methylphenoxy)acetamide;2-(4-methylphenoxy)-N-[3-[4-(3-methylphenoxy)butanoyl]-1-bicyclo[1.1.1]pentanyl]acetamide (CID 161194064) is 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[3-(1,1-difluoroethyl)-4-fluorophenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1-methylpyrazol-3-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methyl-1,3-thiazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chlorophenoxy)acetyl]amino]-N-[2-(4-methylphenoxy)ethyl]bicyclo[1.1.1]pentane-1-carboxamide;N-[3-[4-(4-fluorophenoxy)butanoyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-methylphenoxy)acetamide;2-(4-methylphenoxy)-N-[3-[4-(3-methylphenoxy)butanoyl]-1-bicyclo[1.1.1]pentanyl]acetamide.

What is the SMILES notation for 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[3-(1,1-difluoroethyl)-4-fluorophenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1-methylpyrazol-3-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methyl-1,3-thiazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chlorophenoxy)acetyl]amino]-N-[2-(4-methylphenoxy)ethyl]bicyclo[1.1.1]pentane-1-carboxamide;N-[3-[4-(4-fluorophenoxy)butanoyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-methylphenoxy)acetamide;2-(4-methylphenoxy)-N-[3-[4-(3-methylphenoxy)butanoyl]-1-bicyclo[1.1.1]pentanyl]acetamide?

The canonical SMILES for 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[3-(1,1-difluoroethyl)-4-fluorophenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1-methylpyrazol-3-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methyl-1,3-thiazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chlorophenoxy)acetyl]amino]-N-[2-(4-methylphenoxy)ethyl]bicyclo[1.1.1]pentane-1-carboxamide;N-[3-[4-(4-fluorophenoxy)butanoyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-methylphenoxy)acetamide;2-(4-methylphenoxy)-N-[3-[4-(3-methylphenoxy)butanoyl]-1-bicyclo[1.1.1]pentanyl]acetamide is CC(F)(F)c1cc(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)ccc1F.Cc1ccc(OCC(=O)NC23CC(C(=O)CCCOc4ccc(F)cc4)(C2)C3)cc1.Cc1ccc(OCC(=O)NC23CC(C(=O)CCCOc4cccc(C)c4)(C2)C3)cc1.Cc1ccc(OCCNC(=O)C23CC(NC(=O)COc4ccc(Cl)cc4)(C2)C3)cc1.Cc1cnc(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)s1.Cn1ccc(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)n1.

What is the InChIKey of 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[3-(1,1-difluoroethyl)-4-fluorophenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1-methylpyrazol-3-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methyl-1,3-thiazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chlorophenoxy)acetyl]amino]-N-[2-(4-methylphenoxy)ethyl]bicyclo[1.1.1]pentane-1-carboxamide;N-[3-[4-(4-fluorophenoxy)butanoyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-methylphenoxy)acetamide;2-(4-methylphenoxy)-N-[3-[4-(3-methylphenoxy)butanoyl]-1-bicyclo[1.1.1]pentanyl]acetamide?

The InChIKey is UUCOUCIWJODKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO4.C24H26FNO4.C23H21ClF4N2O3.C23H25ClN2O4.C19H20ClFN4O3.C19H19ClFN3O3S/c1-18-8-10-20(11-9-18)30-14-23(28)26-25-15-24(16-25,17-25)22(27)7-4-12-29-21-6-3-5-19(2)13-21;1-17-4-8-20(9-5-17)30-13-22(28)26-24-14-23(15-24,16-24)21(27)3-2-12-29-19-10-6-18(25)7-11-19;1-21(27,28)15-6-13(2-5-17(15)25)8-29-20(32)22-10-23(11-22,12-22)30-19(31)9-33-14-3-4-16(24)18(26)7-14;1-16-2-6-18(7-3-16)29-11-10-25-21(28)22-13-23(14-22,15-22)26-20(27)12-30-19-8-4-17(24)5-9-19;1-25-5-4-12(24-25)7-22-17(27)18-9-19(10-18,11-18)23-16(26)8-28-13-2-3-14(20)15(21)6-13;1-11-5-22-16(28-11)6-23-17(26)18-8-19(9-18,10-18)24-15(25)7-27-12-2-3-13(20)14(21)4-12/h3,5-6,8-11,13H,4,7,12,14-17H2,1-2H3,(H,26,28);4-11H,2-3,12-16H2,1H3,(H,26,28);2-7H,8-12H2,1H3,(H,29,32)(H,30,31);2-9H,10-15H2,1H3,(H,25,28)(H,26,27);2-6H,7-11H2,1H3,(H,22,27)(H,23,26);2-5H,6-10H2,1H3,(H,23,26)(H,24,25).

What are the key properties of 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[3-(1,1-difluoroethyl)-4-fluorophenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1-methylpyrazol-3-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methyl-1,3-thiazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chlorophenoxy)acetyl]amino]-N-[2-(4-methylphenoxy)ethyl]bicyclo[1.1.1]pentane-1-carboxamide;N-[3-[4-(4-fluorophenoxy)butanoyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-methylphenoxy)acetamide;2-(4-methylphenoxy)-N-[3-[4-(3-methylphenoxy)butanoyl]-1-bicyclo[1.1.1]pentanyl]acetamide?

3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[3-(1,1-difluoroethyl)-4-fluorophenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1-methylpyrazol-3-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methyl-1,3-thiazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chlorophenoxy)acetyl]amino]-N-[2-(4-methylphenoxy)ethyl]bicyclo[1.1.1]pentane-1-carboxamide;N-[3-[4-(4-fluorophenoxy)butanoyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-methylphenoxy)acetamide;2-(4-methylphenoxy)-N-[3-[4-(3-methylphenoxy)butanoyl]-1-bicyclo[1.1.1]pentanyl]acetamide has a molecular weight of 2563.52 g/mol, XLogP of 20.78, 51 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[3-(1,1-difluoroethyl)-4-fluorophenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1-methylpyrazol-3-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methyl-1,3-thiazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chlorophenoxy)acetyl]amino]-N-[2-(4-methylphenoxy)ethyl]bicyclo[1.1.1]pentane-1-carboxamide;N-[3-[4-(4-fluorophenoxy)butanoyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-methylphenoxy)acetamide;2-(4-methylphenoxy)-N-[3-[4-(3-methylphenoxy)butanoyl]-1-bicyclo[1.1.1]pentanyl]acetamide is sourced from PubChem (CID 161194064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).