C110H116Cl5F3N14O15S — CID 162299192
3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2,5-dimethylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1R)-1-(3-methylphenyl)ethyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-methylthiophen-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[2-(1H-imidazol-5-yl)ethyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[(3-methylimidazo[1,2-a]pyridin-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide (PubChem CID 162299192) has the molecular formula C110H116Cl5F3N14O15S and a molecular weight of 2140.55 g/mol. Its IUPAC name is 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2,5-dimethylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1R)-1-(3-methylphenyl)ethyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-methylthiophen-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[2-(1H-imidazol-5-yl)ethyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[(3-methylimidazo[1,2-a]pyridin-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide.
| Compound Name | 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2,5-dimethylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1R)-1-(3-methylphenyl)ethyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-methylthiophen-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[2-(1H-imidazol-5-yl)ethyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[(3-methylimidazo[1,2-a]pyridin-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide |
|---|---|
| PubChem CID | 162299192 |
| Molecular Formula | C110H116Cl5F3N14O15S |
| Molecular Weight | 2140.55 g/mol |
| Exact Mass | 2136.69 |
| IUPAC Name | 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2,5-dimethylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1R)-1-(3-methylphenyl)ethyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-methylthiophen-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[2-(1H-imidazol-5-yl)ethyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[(3-methylimidazo[1,2-a]pyridin-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide |
| SMILES | Cc1cc(OCC(=O)NC23CC(C(=O)NCCc4cnc[nH]4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)NC23CC(C(=O)NCc4nc5ccccn5c4C)(C2)C3)ccc1Cl.Cc1ccc(C)c(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)c1.Cc1cccc([C@@H](C)NC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)c1.Cc1ccsc1CNC(=O)C12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2 |
| InChI | InChI=1S/C24H25ClN4O3.2C23H24ClFN2O3.C20H20ClFN2O3S.C20H23ClN4O3/c1-15-9-17(6-7-18(15)25)32-11-21(30)28-24-12-23(13-24,14-24)22(31)26-10-19-16(2)29-8-4-3-5-20(29)27-19;1-14-3-4-15(2)16(7-14)9-26-21(29)22-11-23(12-22,13-22)27-20(28)10-30-17-5-6-18(24)19(25)8-17;1-14-4-3-5-16(8-14)15(2)26-21(29)22-11-23(12-22,13-22)27-20(28)10-30-17-6-7-18(24)19(25)9-17;1-12-4-5-28-16(12)7-23-18(26)19-9-20(10-19,11-19)24-17(25)8-27-13-2-3-14(21)15(22)6-13;1-13-6-15(2-3-16(13)21)28-8-17(26)25-20-9-19(10-20,11-20)18(27)23-5-4-14-7-22-12-24-14/h3-9H,10-14H2,1-2H3,(H,26,31)(H,28,30);3-8H,9-13H2,1-2H3,(H,26,29)(H,27,28);3-9,15H,10-13H2,1-2H3,(H,26,29)(H,27,28);2-6H,7-11H2,1H3,(H,23,26)(H,24,25);2-3,6-7,12H,4-5,8-11H2,1H3,(H,22,24)(H,23,27)(H,25,26)/t;;15-,22?,23?;;/m..1../s1 |
| InChIKey | GYYPFODUSXJPCM-GTJVLQFJSA-N |
| XLogP | 16.98 |
| TPSA | 383.13 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 36 |
| Heavy Atoms | 148 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2140.55 |
| LogP ≤ 5 | 16.98 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 19 |