C110H104Cl6F6N6O19 — CID 158290241
2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-fluoro-6-methoxyphenyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-methoxy-4-methylphenyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-methoxyphenyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[2-(4-methyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide (PubChem CID 158290241) has the molecular formula C110H104Cl6F6N6O19 and a molecular weight of 2140.77 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-fluoro-6-methoxyphenyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-methoxy-4-methylphenyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-methoxyphenyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[2-(4-methyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide.
| Compound Name | 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-fluoro-6-methoxyphenyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-methoxy-4-methylphenyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-methoxyphenyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[2-(4-methyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide |
|---|---|
| PubChem CID | 158290241 |
| Molecular Formula | C110H104Cl6F6N6O19 |
| Molecular Weight | 2140.77 g/mol |
| Exact Mass | 2136.54 |
| IUPAC Name | 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-fluoro-6-methoxyphenyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-methoxy-4-methylphenyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-methoxyphenyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[2-(4-methyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide |
| SMILES | COc1cc(C)ccc1C(=O)CC12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2.COc1ccc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)cc1F.COc1cccc(F)c1C(=O)CC12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2.COc1ccccc1C(=O)CC12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2.Cc1ccnc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(Cl)c4)(C2)C3)c1 |
| InChI | InChI=1S/C23H23ClFNO4.2C22H20ClF2NO4.C22H21ClFNO4.C21H20Cl2N2O3/c1-14-3-5-16(20(7-14)29-2)19(27)9-22-11-23(12-22,13-22)26-21(28)10-30-15-4-6-17(24)18(25)8-15;1-29-19-5-2-13(6-17(19)25)18(27)8-21-10-22(11-21,12-21)26-20(28)9-30-14-3-4-15(23)16(24)7-14;1-29-18-4-2-3-15(24)20(18)17(27)8-21-10-22(11-21,12-21)26-19(28)9-30-13-5-6-14(23)16(25)7-13;1-28-19-5-3-2-4-15(19)18(26)9-21-11-22(12-21,13-21)25-20(27)10-29-14-6-7-16(23)17(24)8-14;1-13-4-5-24-17(6-13)18(26)8-20-10-21(11-20,12-20)25-19(27)9-28-14-2-3-15(22)16(23)7-14/h3-8H,9-13H2,1-2H3,(H,26,28);2*2-7H,8-12H2,1H3,(H,26,28);2-8H,9-13H2,1H3,(H,25,27);2-7H,8-12H2,1H3,(H,25,27) |
| InChIKey | GLGKSWYDCZMXLN-UHFFFAOYSA-N |
| XLogP | 21.69 |
| TPSA | 326.81 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 39 |
| Heavy Atoms | 147 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2140.77 |
| LogP ≤ 5 | 21.69 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 20 |