bis(3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1,3-dimethylpyrazol-4-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide);3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2,5-dimethylpyrazol-3-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide

C105H110Cl6F8N18O15 — CID 157175022

About bis(3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1,3-dimethylpyrazol-4-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide);3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2,5-dimethylpyrazol-3-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide

bis(3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1,3-dimethylpyrazol-4-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide);3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2,5-dimethylpyrazol-3-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide (PubChem CID 157175022) has the molecular formula C105H110Cl6F8N18O15 and a molecular weight of 2228.85 g/mol. Its IUPAC name is bis(3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1,3-dimethylpyrazol-4-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide);3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2,5-dimethylpyrazol-3-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide.

Molecular Properties

• Compound Name: bis(3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1,3-dimethylpyrazol-4-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide);3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2,5-dimethylpyrazol-3-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide
• PubChem CID: 157175022
• Molecular Formula: C105H110Cl6F8N18O15
• Molecular Weight: 2228.85 g/mol
• Exact Mass: 2224.64
• IUPAC Name: bis(3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1,3-dimethylpyrazol-4-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide);3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2,5-dimethylpyrazol-3-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide
• SMILES: CC(F)(F)c1ccc(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(Cl)c4)(C2)C3)cn1.Cc1cc(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)n(C)n1.Cc1cc(OCC(=O)NC23CC(C(=O)NCCc4cccc(C(F)(F)F)n4)(C2)C3)ccc1Cl.Cc1nn(C)cc1CNC(=O)C12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2.Cc1nn(C)cc1CNC(=O)C12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2
• InChI: InChI=1S/C23H23ClF3N3O3.C22H21Cl2F2N3O3.3C20H22ClFN4O3/c1-14-9-16(5-6-17(14)24)33-10-19(31)30-22-11-21(12-22,13-22)20(32)28-8-7-15-3-2-4-18(29-15)23(25,26)27;1-20(25,26)17-5-2-13(7-27-17)8-28-19(31)21-10-22(11-21,12-21)29-18(30)9-32-14-3-4-15(23)16(24)6-14;2*1-12-13(7-26(2)25-12)6-23-18(28)19-9-20(10-19,11-19)24-17(27)8-29-14-3-4-15(21)16(22)5-14;1-12-5-13(26(2)25-12)7-23-18(28)19-9-20(10-19,11-19)24-17(27)8-29-14-3-4-15(21)16(22)6-14/h2-6,9H,7-8,10-13H2,1H3,(H,28,32)(H,30,31);2-7H,8-12H2,1H3,(H,28,31)(H,29,30);2*3-5,7H,6,8-11H2,1-2H3,(H,23,28)(H,24,27);3-6H,7-11H2,1-2H3,(H,23,28)(H,24,27)
• InChIKey: ANXFAWXUHUTYJT-UHFFFAOYSA-N
• XLogP: 14.84
• TPSA: 416.39 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 23
• Rotatable Bonds: 37
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2228.85
LogP ≤ 5	14.84
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of bis(3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1,3-dimethylpyrazol-4-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide);3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2,5-dimethylpyrazol-3-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide?

The IUPAC name of bis(3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1,3-dimethylpyrazol-4-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide);3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2,5-dimethylpyrazol-3-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide (CID 157175022) is bis(3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1,3-dimethylpyrazol-4-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide);3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2,5-dimethylpyrazol-3-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide.

What is the SMILES notation for bis(3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1,3-dimethylpyrazol-4-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide);3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2,5-dimethylpyrazol-3-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide?

The canonical SMILES for bis(3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1,3-dimethylpyrazol-4-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide);3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2,5-dimethylpyrazol-3-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide is CC(F)(F)c1ccc(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(Cl)c4)(C2)C3)cn1.Cc1cc(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)n(C)n1.Cc1cc(OCC(=O)NC23CC(C(=O)NCCc4cccc(C(F)(F)F)n4)(C2)C3)ccc1Cl.Cc1nn(C)cc1CNC(=O)C12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2.Cc1nn(C)cc1CNC(=O)C12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2.

What is the InChIKey of bis(3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1,3-dimethylpyrazol-4-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide);3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2,5-dimethylpyrazol-3-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide?

The InChIKey is ANXFAWXUHUTYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClF3N3O3.C22H21Cl2F2N3O3.3C20H22ClFN4O3/c1-14-9-16(5-6-17(14)24)33-10-19(31)30-22-11-21(12-22,13-22)20(32)28-8-7-15-3-2-4-18(29-15)23(25,26)27;1-20(25,26)17-5-2-13(7-27-17)8-28-19(31)21-10-22(11-21,12-21)29-18(30)9-32-14-3-4-15(23)16(24)6-14;2*1-12-13(7-26(2)25-12)6-23-18(28)19-9-20(10-19,11-19)24-17(27)8-29-14-3-4-15(21)16(22)5-14;1-12-5-13(26(2)25-12)7-23-18(28)19-9-20(10-19,11-19)24-17(27)8-29-14-3-4-15(21)16(22)6-14/h2-6,9H,7-8,10-13H2,1H3,(H,28,32)(H,30,31);2-7H,8-12H2,1H3,(H,28,31)(H,29,30);2*3-5,7H,6,8-11H2,1-2H3,(H,23,28)(H,24,27);3-6H,7-11H2,1-2H3,(H,23,28)(H,24,27).

What are the key properties of bis(3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1,3-dimethylpyrazol-4-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide);3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2,5-dimethylpyrazol-3-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide?

bis(3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1,3-dimethylpyrazol-4-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide);3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2,5-dimethylpyrazol-3-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide has a molecular weight of 2228.85 g/mol, XLogP of 14.84, 37 rotatable bonds, 10 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1,3-dimethylpyrazol-4-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide);3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2,5-dimethylpyrazol-3-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide is sourced from PubChem (CID 157175022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).