N-benzyl-3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-methylbicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(3-pyridin-2-ylpropyl)bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(3-pyridin-3-ylpropyl)bicyclo[1.1.1]pentane-1-carboxamide;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-pyrazol-1-ylbutan-1-one

C126H131Cl6F5N16O19S — CID 159903226

About N-benzyl-3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-methylbicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(3-pyridin-2-ylpropyl)bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(3-pyridin-3-ylpropyl)bicyclo[1.1.1]pentane-1-carboxamide;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-pyrazol-1-ylbutan-1-one

N-benzyl-3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-methylbicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(3-pyridin-2-ylpropyl)bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(3-pyridin-3-ylpropyl)bicyclo[1.1.1]pentane-1-carboxamide;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-pyrazol-1-ylbutan-1-one (PubChem CID 159903226) has the molecular formula C126H131Cl6F5N16O19S and a molecular weight of 2513.30 g/mol. Its IUPAC name is N-benzyl-3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-methylbicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(3-pyridin-2-ylpropyl)bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(3-pyridin-3-ylpropyl)bicyclo[1.1.1]pentane-1-carboxamide;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-pyrazol-1-ylbutan-1-one.

Molecular Properties

• Compound Name: N-benzyl-3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-methylbicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(3-pyridin-2-ylpropyl)bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(3-pyridin-3-ylpropyl)bicyclo[1.1.1]pentane-1-carboxamide;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-pyrazol-1-ylbutan-1-one
• PubChem CID: 159903226
• Molecular Formula: C126H131Cl6F5N16O19S
• Molecular Weight: 2513.30 g/mol
• Exact Mass: 2508.75
• IUPAC Name: N-benzyl-3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-methylbicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(3-pyridin-2-ylpropyl)bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(3-pyridin-3-ylpropyl)bicyclo[1.1.1]pentane-1-carboxamide;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-pyrazol-1-ylbutan-1-one
• SMILES: CN(Cc1ccccc1)C(=O)C12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2.Cc1cc(OCC(=O)CC23CC(C(=O)CCCn4cccn4)(C2)C3)ccc1Cl.Cc1cnc(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)o1.Cc1csc(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)n1.O=C(COc1ccc(Cl)c(F)c1)NC12CC(C(=O)NCCCc3ccccn3)(C1)C2.O=C(COc1ccc(Cl)c(F)c1)NC12CC(C(=O)NCCCc3cccnc3)(C1)C2
• InChI: InChI=1S/2C22H23ClFN3O3.C22H22ClFN2O3.C22H25ClN2O3.C19H19ClFN3O4.C19H19ClFN3O3S/c23-17-6-5-16(9-18(17)24)30-11-19(28)27-22-12-21(13-22,14-22)20(29)26-8-2-4-15-3-1-7-25-10-15;23-17-7-6-16(10-18(17)24)30-11-19(28)27-22-12-21(13-22,14-22)20(29)26-9-3-5-15-4-1-2-8-25-15;1-26(10-15-5-3-2-4-6-15)20(28)21-12-22(13-21,14-21)25-19(27)11-29-16-7-8-17(23)18(24)9-16;1-16-10-18(5-6-19(16)23)28-12-17(26)11-21-13-22(14-21,15-21)20(27)4-2-8-25-9-3-7-24-25;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;1-11-7-28-16(23-11)5-22-17(26)18-8-19(9-18,10-18)24-15(25)6-27-12-2-3-13(20)14(21)4-12/h1,3,5-7,9-10H,2,4,8,11-14H2,(H,26,29)(H,27,28);1-2,4,6-8,10H,3,5,9,11-14H2,(H,26,29)(H,27,28);2-9H,10-14H2,1H3,(H,25,27);3,5-7,9-10H,2,4,8,11-15H2,1H3;2-5H,6-10H2,1H3,(H,23,26)(H,24,25);2-4,7H,5-6,8-10H2,1H3,(H,22,26)(H,24,25)
• InChIKey: NWFPNFMJFXEHFV-UHFFFAOYSA-N
• XLogP: 19.53
• TPSA: 454.25 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 26
• Rotatable Bonds: 49
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2513.30
LogP ≤ 5	19.53
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-methylbicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(3-pyridin-2-ylpropyl)bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(3-pyridin-3-ylpropyl)bicyclo[1.1.1]pentane-1-carboxamide;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-pyrazol-1-ylbutan-1-one?

The IUPAC name of N-benzyl-3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-methylbicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(3-pyridin-2-ylpropyl)bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(3-pyridin-3-ylpropyl)bicyclo[1.1.1]pentane-1-carboxamide;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-pyrazol-1-ylbutan-1-one (CID 159903226) is N-benzyl-3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-methylbicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(3-pyridin-2-ylpropyl)bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(3-pyridin-3-ylpropyl)bicyclo[1.1.1]pentane-1-carboxamide;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-pyrazol-1-ylbutan-1-one.

What is the SMILES notation for N-benzyl-3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-methylbicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(3-pyridin-2-ylpropyl)bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(3-pyridin-3-ylpropyl)bicyclo[1.1.1]pentane-1-carboxamide;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-pyrazol-1-ylbutan-1-one?

The canonical SMILES for N-benzyl-3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-methylbicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(3-pyridin-2-ylpropyl)bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(3-pyridin-3-ylpropyl)bicyclo[1.1.1]pentane-1-carboxamide;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-pyrazol-1-ylbutan-1-one is CN(Cc1ccccc1)C(=O)C12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2.Cc1cc(OCC(=O)CC23CC(C(=O)CCCn4cccn4)(C2)C3)ccc1Cl.Cc1cnc(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)o1.Cc1csc(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)n1.O=C(COc1ccc(Cl)c(F)c1)NC12CC(C(=O)NCCCc3ccccn3)(C1)C2.O=C(COc1ccc(Cl)c(F)c1)NC12CC(C(=O)NCCCc3cccnc3)(C1)C2.

What is the InChIKey of N-benzyl-3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-methylbicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(3-pyridin-2-ylpropyl)bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(3-pyridin-3-ylpropyl)bicyclo[1.1.1]pentane-1-carboxamide;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-pyrazol-1-ylbutan-1-one?

The InChIKey is NWFPNFMJFXEHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H23ClFN3O3.C22H22ClFN2O3.C22H25ClN2O3.C19H19ClFN3O4.C19H19ClFN3O3S/c23-17-6-5-16(9-18(17)24)30-11-19(28)27-22-12-21(13-22,14-22)20(29)26-8-2-4-15-3-1-7-25-10-15;23-17-7-6-16(10-18(17)24)30-11-19(28)27-22-12-21(13-22,14-22)20(29)26-9-3-5-15-4-1-2-8-25-15;1-26(10-15-5-3-2-4-6-15)20(28)21-12-22(13-21,14-21)25-19(27)11-29-16-7-8-17(23)18(24)9-16;1-16-10-18(5-6-19(16)23)28-12-17(26)11-21-13-22(14-21,15-21)20(27)4-2-8-25-9-3-7-24-25;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;1-11-7-28-16(23-11)5-22-17(26)18-8-19(9-18,10-18)24-15(25)6-27-12-2-3-13(20)14(21)4-12/h1,3,5-7,9-10H,2,4,8,11-14H2,(H,26,29)(H,27,28);1-2,4,6-8,10H,3,5,9,11-14H2,(H,26,29)(H,27,28);2-9H,10-14H2,1H3,(H,25,27);3,5-7,9-10H,2,4,8,11-15H2,1H3;2-5H,6-10H2,1H3,(H,23,26)(H,24,25);2-4,7H,5-6,8-10H2,1H3,(H,22,26)(H,24,25).

What are the key properties of N-benzyl-3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-methylbicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(3-pyridin-2-ylpropyl)bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(3-pyridin-3-ylpropyl)bicyclo[1.1.1]pentane-1-carboxamide;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-pyrazol-1-ylbutan-1-one?

N-benzyl-3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-methylbicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(3-pyridin-2-ylpropyl)bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(3-pyridin-3-ylpropyl)bicyclo[1.1.1]pentane-1-carboxamide;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-pyrazol-1-ylbutan-1-one has a molecular weight of 2513.30 g/mol, XLogP of 19.53, 49 rotatable bonds, 9 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-methylbicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(3-pyridin-2-ylpropyl)bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(3-pyridin-3-ylpropyl)bicyclo[1.1.1]pentane-1-carboxamide;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-pyrazol-1-ylbutan-1-one is sourced from PubChem (CID 159903226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).