C110H111Cl5F5N13O16 — CID 162294832
3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-fluoro-4-methylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1-methylimidazol-4-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-methylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[2-(1H-indol-3-yl)ethyl]bicyclo[1.1.1]pentane-1-carboxamide (PubChem CID 162294832) has the molecular formula C110H111Cl5F5N13O16 and a molecular weight of 2143.43 g/mol. Its IUPAC name is 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-fluoro-4-methylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1-methylimidazol-4-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-methylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[2-(1H-indol-3-yl)ethyl]bicyclo[1.1.1]pentane-1-carboxamide.
| Compound Name | 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-fluoro-4-methylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1-methylimidazol-4-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-methylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[2-(1H-indol-3-yl)ethyl]bicyclo[1.1.1]pentane-1-carboxamide |
|---|---|
| PubChem CID | 162294832 |
| Molecular Formula | C110H111Cl5F5N13O16 |
| Molecular Weight | 2143.43 g/mol |
| Exact Mass | 2139.66 |
| IUPAC Name | 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-fluoro-4-methylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1-methylimidazol-4-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-methylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[2-(1H-indol-3-yl)ethyl]bicyclo[1.1.1]pentane-1-carboxamide |
| SMILES | COc1ccc(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)cc1.Cc1cc(OCC(=O)NC23CC(C(=O)NCCc4c[nH]c5ccccc45)(C2)C3)ccc1Cl.Cc1ccc(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)cc1F.Cc1ccccc1CNC(=O)C12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2.Cn1cnc(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)c1 |
| InChI | InChI=1S/C25H26ClN3O3.C22H21ClF2N2O3.C22H22ClFN2O4.C22H22ClFN2O3.C19H20ClFN4O3/c1-16-10-18(6-7-20(16)26)32-12-22(30)29-25-13-24(14-25,15-25)23(31)27-9-8-17-11-28-21-5-3-2-4-19(17)21;1-13-2-3-14(6-17(13)24)8-26-20(29)21-10-22(11-21,12-21)27-19(28)9-30-15-4-5-16(23)18(25)7-15;1-29-15-4-2-14(3-5-15)9-25-20(28)21-11-22(12-21,13-21)26-19(27)10-30-16-6-7-17(23)18(24)8-16;1-14-4-2-3-5-15(14)9-25-20(28)21-11-22(12-21,13-21)26-19(27)10-29-16-6-7-17(23)18(24)8-16;1-25-6-12(23-11-25)5-22-17(27)18-8-19(9-18,10-18)24-16(26)7-28-13-2-3-14(20)15(21)4-13/h2-7,10-11,28H,8-9,12-15H2,1H3,(H,27,31)(H,29,30);2-7H,8-12H2,1H3,(H,26,29)(H,27,28);2-8H,9-13H2,1H3,(H,25,28)(H,26,27);2-8H,9-13H2,1H3,(H,25,28)(H,26,27);2-4,6,11H,5,7-10H2,1H3,(H,22,27)(H,24,26) |
| InChIKey | AHYGSWJHUMAQTD-UHFFFAOYSA-N |
| XLogP | 16.26 |
| TPSA | 379.99 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 37 |
| Heavy Atoms | 149 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2143.43 |
| LogP ≤ 5 | 16.26 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 18 |