C141H129Cl3N18O12 — CID 158497307
N-(4-chlorophenyl)-4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dichlorophenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-ethylbenzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-methylphenyl)benzamide;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-methylpropanamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propan-2-ylbenzamide (PubChem CID 158497307) has the molecular formula C141H129Cl3N18O12 and a molecular weight of 2374.06 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dichlorophenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-ethylbenzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-methylphenyl)benzamide;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-methylpropanamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propan-2-ylbenzamide.
| Compound Name | N-(4-chlorophenyl)-4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dichlorophenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-ethylbenzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-methylphenyl)benzamide;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-methylpropanamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propan-2-ylbenzamide |
|---|---|
| PubChem CID | 158497307 |
| Molecular Formula | C141H129Cl3N18O12 |
| Molecular Weight | 2374.06 g/mol |
| Exact Mass | 2370.91 |
| IUPAC Name | N-(4-chlorophenyl)-4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dichlorophenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-ethylbenzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-methylphenyl)benzamide;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-methylpropanamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propan-2-ylbenzamide |
| SMILES | CCNC(=O)c1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1.CCn1c(-c2ccc(C(=O)NC(C)C)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(C(=O)Nc3ccc(C)cc3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(C(=O)Nc3ccc(Cl)c(Cl)c3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(NC(=O)C(C)C)c2)c(C#N)c2ccc(OC)cc21 |
| InChI | InChI=1S/C26H23N3O2.C25H19Cl2N3O2.C25H20ClN3O2.2C22H23N3O2.C21H21N3O2/c1-4-29-24-15-21(31-3)13-14-22(24)23(16-27)25(29)18-7-9-19(10-8-18)26(30)28-20-11-5-17(2)6-12-20;1-3-30-23-13-18(32-2)9-10-19(23)20(14-28)24(30)15-4-6-16(7-5-15)25(31)29-17-8-11-21(26)22(27)12-17;1-3-29-23-14-20(31-2)12-13-21(23)22(15-27)24(29)16-4-6-17(7-5-16)25(30)28-19-10-8-18(26)9-11-19;1-5-25-20-12-17(27-4)10-11-18(20)19(13-23)21(25)15-6-8-16(9-7-15)22(26)24-14(2)3;1-5-25-20-12-17(27-4)9-10-18(20)19(13-23)21(25)15-7-6-8-16(11-15)24-22(26)14(2)3;1-4-23-21(25)15-8-6-14(7-9-15)20-18(13-22)17-11-10-16(26-3)12-19(17)24(20)5-2/h5-15H,4H2,1-3H3,(H,28,30);4-13H,3H2,1-2H3,(H,29,31);4-14H,3H2,1-2H3,(H,28,30);2*6-12,14H,5H2,1-4H3,(H,24,26);6-12H,4-5H2,1-3H3,(H,23,25) |
| InChIKey | HJLKVFWVIBHGRJ-UHFFFAOYSA-N |
| XLogP | 31.76 |
| TPSA | 402.30 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 174 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2374.06 |
| LogP ≤ 5 | 31.76 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 24 |