C114H143Cl5F7N7O14 — CID 158887317
4-chloro-N-[[3-(1,1-difluoroethyl)-1-hydroxycyclohexyl]methyl]-1-(oxolan-2-ylmethyl)indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]indole-3-carboxamide;1-[4-chloro-1-(oxolan-2-ylmethyl)indol-3-yl]-3-(3,3-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[4-chloro-1-(oxolan-2-ylmethyl)indol-3-yl]-3-(3,3-difluoro-1-hydroxy-5-methylcyclohexyl)propan-1-one;1-[4-chloro-1-(oxolan-2-ylmethyl)indol-3-yl]-3-(3-ethyl-1-hydroxycyclohexyl)propan-1-one (PubChem CID 158887317) has the molecular formula C114H143Cl5F7N7O14 and a molecular weight of 2145.68 g/mol. Its IUPAC name is 4-chloro-N-[[3-(1,1-difluoroethyl)-1-hydroxycyclohexyl]methyl]-1-(oxolan-2-ylmethyl)indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]indole-3-carboxamide;1-[4-chloro-1-(oxolan-2-ylmethyl)indol-3-yl]-3-(3,3-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[4-chloro-1-(oxolan-2-ylmethyl)indol-3-yl]-3-(3,3-difluoro-1-hydroxy-5-methylcyclohexyl)propan-1-one;1-[4-chloro-1-(oxolan-2-ylmethyl)indol-3-yl]-3-(3-ethyl-1-hydroxycyclohexyl)propan-1-one.
| Compound Name | 4-chloro-N-[[3-(1,1-difluoroethyl)-1-hydroxycyclohexyl]methyl]-1-(oxolan-2-ylmethyl)indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]indole-3-carboxamide;1-[4-chloro-1-(oxolan-2-ylmethyl)indol-3-yl]-3-(3,3-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[4-chloro-1-(oxolan-2-ylmethyl)indol-3-yl]-3-(3,3-difluoro-1-hydroxy-5-methylcyclohexyl)propan-1-one;1-[4-chloro-1-(oxolan-2-ylmethyl)indol-3-yl]-3-(3-ethyl-1-hydroxycyclohexyl)propan-1-one |
|---|---|
| PubChem CID | 158887317 |
| Molecular Formula | C114H143Cl5F7N7O14 |
| Molecular Weight | 2145.68 g/mol |
| Exact Mass | 2141.90 |
| IUPAC Name | 4-chloro-N-[[3-(1,1-difluoroethyl)-1-hydroxycyclohexyl]methyl]-1-(oxolan-2-ylmethyl)indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]indole-3-carboxamide;1-[4-chloro-1-(oxolan-2-ylmethyl)indol-3-yl]-3-(3,3-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[4-chloro-1-(oxolan-2-ylmethyl)indol-3-yl]-3-(3,3-difluoro-1-hydroxy-5-methylcyclohexyl)propan-1-one;1-[4-chloro-1-(oxolan-2-ylmethyl)indol-3-yl]-3-(3-ethyl-1-hydroxycyclohexyl)propan-1-one |
| SMILES | CC(F)(F)C1CCCC(O)(CNC(=O)c2cn(CC3CCCO3)c3cccc(Cl)c23)C1.CC1(F)CCC(CNC(=O)c2cn(C[C@H]3CCCO3)c3cccc(Cl)c23)CC1.CC1CC(F)(F)CC(O)(CCC(=O)c2cn(CC3CCCO3)c3cccc(Cl)c23)C1.CCC1CCCC(O)(CCC(=O)c2cn(CC3CCCO3)c3cccc(Cl)c23)C1.O=C(CCC1(O)CCCC(F)(F)C1)c1cn(CC2CCCO2)c2cccc(Cl)c12 |
| InChI | InChI=1S/C24H32ClNO3.C23H29ClF2N2O3.C23H28ClF2NO3.C22H26ClF2NO3.C22H28ClFN2O2/c1-2-17-6-4-11-24(28,14-17)12-10-22(27)19-16-26(15-18-7-5-13-29-18)21-9-3-8-20(25)23(19)21;1-22(25,26)15-5-3-9-23(30,11-15)14-27-21(29)17-13-28(12-16-6-4-10-31-16)19-8-2-7-18(24)20(17)19;1-15-10-22(29,14-23(25,26)11-15)8-7-20(28)17-13-27(12-16-4-3-9-30-16)19-6-2-5-18(24)21(17)19;23-17-5-1-6-18-20(17)16(13-26(18)12-15-4-2-11-29-15)19(27)7-10-21(28)8-3-9-22(24,25)14-21;1-22(24)9-7-15(8-10-22)12-25-21(27)17-14-26(13-16-4-3-11-28-16)19-6-2-5-18(23)20(17)19/h3,8-9,16-18,28H,2,4-7,10-15H2,1H3;2,7-8,13,15-16,30H,3-6,9-12,14H2,1H3,(H,27,29);2,5-6,13,15-16,29H,3-4,7-12,14H2,1H3;1,5-6,13,15,28H,2-4,7-12,14H2;2,5-6,14-16H,3-4,7-13H2,1H3,(H,25,27)/t;;;;15?,16-,22?/m....1/s1 |
| InChIKey | JDUIKSOJOZPBEO-XARDVFIDSA-N |
| XLogP | 26.67 |
| TPSA | 261.13 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 147 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2145.68 |
| LogP ≤ 5 | 26.67 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 19 |