C108H134Cl5F4N7O13 — CID 157496769
4-chloro-N-(2-cyclopentyl-2-hydroxypropyl)-1-(oxolan-2-yl)indole-3-carboxamide;4-chloro-N-[[3-(1,1-difluoroethyl)-1-hydroxycyclohexyl]methyl]-1-(oxolan-3-yl)indole-3-carboxamide;1-[4-chloro-1-(oxolan-3-yl)indol-3-yl]-3-cyclohexylpropan-1-one;1-[4-chloro-1-(oxolan-2-yl)indol-3-yl]-3-(4-fluoro-1-hydroxy-4-methylcyclohexyl)propan-1-one;1-[4-chloro-1-(oxolan-2-yl)indol-3-yl]-3-(4-fluoro-4-methylcyclohexyl)propan-1-one (PubChem CID 157496769) has the molecular formula C108H134Cl5F4N7O13 and a molecular weight of 1991.55 g/mol. Its IUPAC name is 4-chloro-N-(2-cyclopentyl-2-hydroxypropyl)-1-(oxolan-2-yl)indole-3-carboxamide;4-chloro-N-[[3-(1,1-difluoroethyl)-1-hydroxycyclohexyl]methyl]-1-(oxolan-3-yl)indole-3-carboxamide;1-[4-chloro-1-(oxolan-3-yl)indol-3-yl]-3-cyclohexylpropan-1-one;1-[4-chloro-1-(oxolan-2-yl)indol-3-yl]-3-(4-fluoro-1-hydroxy-4-methylcyclohexyl)propan-1-one;1-[4-chloro-1-(oxolan-2-yl)indol-3-yl]-3-(4-fluoro-4-methylcyclohexyl)propan-1-one.
| Compound Name | 4-chloro-N-(2-cyclopentyl-2-hydroxypropyl)-1-(oxolan-2-yl)indole-3-carboxamide;4-chloro-N-[[3-(1,1-difluoroethyl)-1-hydroxycyclohexyl]methyl]-1-(oxolan-3-yl)indole-3-carboxamide;1-[4-chloro-1-(oxolan-3-yl)indol-3-yl]-3-cyclohexylpropan-1-one;1-[4-chloro-1-(oxolan-2-yl)indol-3-yl]-3-(4-fluoro-1-hydroxy-4-methylcyclohexyl)propan-1-one;1-[4-chloro-1-(oxolan-2-yl)indol-3-yl]-3-(4-fluoro-4-methylcyclohexyl)propan-1-one |
|---|---|
| PubChem CID | 157496769 |
| Molecular Formula | C108H134Cl5F4N7O13 |
| Molecular Weight | 1991.55 g/mol |
| Exact Mass | 1987.84 |
| IUPAC Name | 4-chloro-N-(2-cyclopentyl-2-hydroxypropyl)-1-(oxolan-2-yl)indole-3-carboxamide;4-chloro-N-[[3-(1,1-difluoroethyl)-1-hydroxycyclohexyl]methyl]-1-(oxolan-3-yl)indole-3-carboxamide;1-[4-chloro-1-(oxolan-3-yl)indol-3-yl]-3-cyclohexylpropan-1-one;1-[4-chloro-1-(oxolan-2-yl)indol-3-yl]-3-(4-fluoro-1-hydroxy-4-methylcyclohexyl)propan-1-one;1-[4-chloro-1-(oxolan-2-yl)indol-3-yl]-3-(4-fluoro-4-methylcyclohexyl)propan-1-one |
| SMILES | CC(F)(F)C1CCCC(O)(CNC(=O)c2cn(C3CCOC3)c3cccc(Cl)c23)C1.CC(O)(CNC(=O)c1cn(C2CCCO2)c2cccc(Cl)c12)C1CCCC1.CC1(F)CCC(CCC(=O)c2cn(C3CCCO3)c3cccc(Cl)c23)CC1.CC1(F)CCC(O)(CCC(=O)c2cn(C3CCCO3)c3cccc(Cl)c23)CC1.O=C(CCC1CCCCC1)c1cn(C2CCOC2)c2cccc(Cl)c12 |
| InChI | InChI=1S/C22H27ClF2N2O3.C22H27ClFNO3.C22H27ClFNO2.C21H27ClN2O3.C21H26ClNO2/c1-21(24,25)14-4-3-8-22(29,10-14)13-26-20(28)16-11-27(15-7-9-30-12-15)18-6-2-5-17(23)19(16)18;1-21(24)9-11-22(27,12-10-21)8-7-18(26)15-14-25(19-6-3-13-28-19)17-5-2-4-16(23)20(15)17;1-22(24)11-9-15(10-12-22)7-8-19(26)16-14-25(20-6-3-13-27-20)18-5-2-4-17(23)21(16)18;1-21(26,14-6-2-3-7-14)13-23-20(25)15-12-24(18-10-5-11-27-18)17-9-4-8-16(22)19(15)17;22-18-7-4-8-19-21(18)17(13-23(19)16-11-12-25-14-16)20(24)10-9-15-5-2-1-3-6-15/h2,5-6,11,14-15,29H,3-4,7-10,12-13H2,1H3,(H,26,28);2,4-5,14,19,27H,3,6-13H2,1H3;2,4-5,14-15,20H,3,6-13H2,1H3;4,8-9,12,14,18,26H,2-3,5-7,10-11,13H2,1H3,(H,23,25);4,7-8,13,15-16H,1-3,5-6,9-12,14H2 |
| InChIKey | BXXUOBZFNTTXRU-UHFFFAOYSA-N |
| XLogP | 26.72 |
| TPSA | 240.90 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 137 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1991.55 |
| LogP ≤ 5 | 26.72 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 18 |