C98H127Cl5F3N9O16 — CID 158519155
4-chloro-N-[(4,4-difluoro-1-methoxycyclohexyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide;4-chloro-N-[(1,2-dihydroxycyclohexyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide;4-chloro-N-[[(1S)-3-fluoro-1-hydroxy-3-methylcyclohexyl]methyl]-1-(2-methoxyethyl)indole-3-carboxamide;4-chloro-N-[(1-hydroxycyclohexyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide;1-[4-chloro-1-(2-methoxyethyl)indol-3-yl]-4-(1-hydroxycyclopentyl)butan-1-one (PubChem CID 158519155) has the molecular formula C98H127Cl5F3N9O16 and a molecular weight of 1921.40 g/mol. Its IUPAC name is 4-chloro-N-[(4,4-difluoro-1-methoxycyclohexyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide;4-chloro-N-[(1,2-dihydroxycyclohexyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide;4-chloro-N-[[(1S)-3-fluoro-1-hydroxy-3-methylcyclohexyl]methyl]-1-(2-methoxyethyl)indole-3-carboxamide;4-chloro-N-[(1-hydroxycyclohexyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide;1-[4-chloro-1-(2-methoxyethyl)indol-3-yl]-4-(1-hydroxycyclopentyl)butan-1-one.
| Compound Name | 4-chloro-N-[(4,4-difluoro-1-methoxycyclohexyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide;4-chloro-N-[(1,2-dihydroxycyclohexyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide;4-chloro-N-[[(1S)-3-fluoro-1-hydroxy-3-methylcyclohexyl]methyl]-1-(2-methoxyethyl)indole-3-carboxamide;4-chloro-N-[(1-hydroxycyclohexyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide;1-[4-chloro-1-(2-methoxyethyl)indol-3-yl]-4-(1-hydroxycyclopentyl)butan-1-one |
|---|---|
| PubChem CID | 158519155 |
| Molecular Formula | C98H127Cl5F3N9O16 |
| Molecular Weight | 1921.40 g/mol |
| Exact Mass | 1917.78 |
| IUPAC Name | 4-chloro-N-[(4,4-difluoro-1-methoxycyclohexyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide;4-chloro-N-[(1,2-dihydroxycyclohexyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide;4-chloro-N-[[(1S)-3-fluoro-1-hydroxy-3-methylcyclohexyl]methyl]-1-(2-methoxyethyl)indole-3-carboxamide;4-chloro-N-[(1-hydroxycyclohexyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide;1-[4-chloro-1-(2-methoxyethyl)indol-3-yl]-4-(1-hydroxycyclopentyl)butan-1-one |
| SMILES | COCCn1cc(C(=O)CCCC2(O)CCCC2)c2c(Cl)cccc21.COCCn1cc(C(=O)NCC2(O)CCCCC2)c2c(Cl)cccc21.COCCn1cc(C(=O)NCC2(O)CCCCC2O)c2c(Cl)cccc21.COCCn1cc(C(=O)NCC2(OC)CCC(F)(F)CC2)c2c(Cl)cccc21.COCCn1cc(C(=O)NC[C@]2(O)CCCC(C)(F)C2)c2c(Cl)cccc21 |
| InChI | InChI=1S/C20H25ClF2N2O3.C20H26ClFN2O3.C20H26ClNO3.C19H25ClN2O4.C19H25ClN2O3/c1-27-11-10-25-12-14(17-15(21)4-3-5-16(17)25)18(26)24-13-19(28-2)6-8-20(22,23)9-7-19;1-19(22)7-4-8-20(26,12-19)13-23-18(25)14-11-24(9-10-27-2)16-6-3-5-15(21)17(14)16;1-25-13-12-22-14-15(19-16(21)6-4-7-17(19)22)18(23)8-5-11-20(24)9-2-3-10-20;1-26-10-9-22-11-13(17-14(20)5-4-6-15(17)22)18(24)21-12-19(25)8-3-2-7-16(19)23;1-25-11-10-22-12-14(17-15(20)6-5-7-16(17)22)18(23)21-13-19(24)8-3-2-4-9-19/h3-5,12H,6-11,13H2,1-2H3,(H,24,26);3,5-6,11,26H,4,7-10,12-13H2,1-2H3,(H,23,25);4,6-7,14,24H,2-3,5,8-13H2,1H3;4-6,11,16,23,25H,2-3,7-10,12H2,1H3,(H,21,24);5-7,12,24H,2-4,8-11,13H2,1H3,(H,21,23)/t;19?,20-;;;/m.0.../s1 |
| InChIKey | HLZRKYPVPFKDJC-KYXLODFCSA-N |
| XLogP | 18.27 |
| TPSA | 314.65 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 33 |
| Heavy Atoms | 131 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1921.40 |
| LogP ≤ 5 | 18.27 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 21 |