C174H147ClF18N24O11S — CID 160707810
2-chloro-N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide;N-[4-(3-cyano-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]benzamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]cyclopropanecarboxamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]morpholine-4-carboxamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propanamide;1-ethyl-6-methoxy-2-naphthalen-2-ylindole-3-carbonitrile (PubChem CID 160707810) has the molecular formula C174H147ClF18N24O11S and a molecular weight of 3159.73 g/mol. Its IUPAC name is 2-chloro-N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide;N-[4-(3-cyano-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]benzamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]cyclopropanecarboxamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]morpholine-4-carboxamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propanamide;1-ethyl-6-methoxy-2-naphthalen-2-ylindole-3-carbonitrile.
| Compound Name | 2-chloro-N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide;N-[4-(3-cyano-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]benzamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]cyclopropanecarboxamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]morpholine-4-carboxamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propanamide;1-ethyl-6-methoxy-2-naphthalen-2-ylindole-3-carbonitrile |
|---|---|
| PubChem CID | 160707810 |
| Molecular Formula | C174H147ClF18N24O11S |
| Molecular Weight | 3159.73 g/mol |
| Exact Mass | 3157.08 |
| IUPAC Name | 2-chloro-N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide;N-[4-(3-cyano-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]benzamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]cyclopropanecarboxamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]morpholine-4-carboxamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propanamide;1-ethyl-6-methoxy-2-naphthalen-2-ylindole-3-carbonitrile |
| SMILES | CCC(=O)Nc1ccc(-c2c(C#N)c3ccc(C(F)(F)F)cc3n2CC)cc1.CCOc1ccc2c(C#N)c(-c3ccc(NS(C)(=O)=O)cc3)n(C(C)C)c2c1.CCn1c(-c2ccc(NC(=O)C3CC3)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(-c2ccc(NC(=O)CCl)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(-c2ccc(NC(=O)N3CCOCC3)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(-c2ccc(NC(=O)c3ccccc3)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(-c2ccc(NC(C)=O)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(-c2ccc3ccccc3c2)c(C#N)c2ccc(OC)cc21 |
| InChI | InChI=1S/C25H18F3N3O.C23H21F3N4O2.C22H18F3N3O.C22H18N2O.C21H18F3N3O.C21H23N3O3S.C20H15ClF3N3O.C20H16F3N3O/c1-2-31-22-14-18(25(26,27)28)10-13-20(22)21(15-29)23(31)16-8-11-19(12-9-16)30-24(32)17-6-4-3-5-7-17;1-2-30-20-13-16(23(24,25)26)5-8-18(20)19(14-27)21(30)15-3-6-17(7-4-15)28-22(31)29-9-11-32-12-10-29;1-2-28-19-11-15(22(23,24)25)7-10-17(19)18(12-26)20(28)13-5-8-16(9-6-13)27-21(29)14-3-4-14;1-3-24-21-13-18(25-2)10-11-19(21)20(14-23)22(24)17-9-8-15-6-4-5-7-16(15)12-17;1-3-19(28)26-15-8-5-13(6-9-15)20-17(12-25)16-10-7-14(21(22,23)24)11-18(16)27(20)4-2;1-5-27-17-10-11-18-19(13-22)21(24(14(2)3)20(18)12-17)15-6-8-16(9-7-15)23-28(4,25)26;1-2-27-17-9-13(20(22,23)24)5-8-15(17)16(11-25)19(27)12-3-6-14(7-4-12)26-18(28)10-21;1-3-26-18-10-14(20(21,22)23)6-9-16(18)17(11-24)19(26)13-4-7-15(8-5-13)25-12(2)27/h3-14H,2H2,1H3,(H,30,32);3-8,13H,2,9-12H2,1H3,(H,28,31);5-11,14H,2-4H2,1H3,(H,27,29);4-13H,3H2,1-2H3;5-11H,3-4H2,1-2H3,(H,26,28);6-12,14,23H,5H2,1-4H3;3-9H,2,10H2,1H3,(H,26,28);4-10H,3H2,1-2H3,(H,25,27) |
| InChIKey | RRLNUFVTTKZXKD-UHFFFAOYSA-N |
| XLogP | 43.15 |
| TPSA | 481.46 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 31 |
| Heavy Atoms | 229 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3159.73 |
| LogP ≤ 5 | 43.15 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 27 |
| Structural Alerts | {'alert_name': 'alkyl_halide', 'substructure': 'N/A'} |
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