C138H151ClF4N9O15Pd- — CID 158777659
1-benzyl-6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-ylindole-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-methoxy-2-propan-2-ylindole-3-carboxamide;1-benzyl-6-methoxy-2-propan-2-ylindole;1-benzyl-6-methoxy-2-propan-2-ylindole-3-carboxylic acid;carbanide;chloroethane;ethanol;methyl 1-benzyl-6-methoxyindole-2-carboxylate;methyl 6-methoxy-1H-indole-2-carboxylate;palladium;phenylmethanamine (PubChem CID 158777659) has the molecular formula C138H151ClF4N9O15Pd- and a molecular weight of 2393.64 g/mol. Its IUPAC name is 1-benzyl-6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-ylindole-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-methoxy-2-propan-2-ylindole-3-carboxamide;1-benzyl-6-methoxy-2-propan-2-ylindole;1-benzyl-6-methoxy-2-propan-2-ylindole-3-carboxylic acid;carbanide;chloroethane;ethanol;methyl 1-benzyl-6-methoxyindole-2-carboxylate;methyl 6-methoxy-1H-indole-2-carboxylate;palladium;phenylmethanamine.
| Compound Name | 1-benzyl-6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-ylindole-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-methoxy-2-propan-2-ylindole-3-carboxamide;1-benzyl-6-methoxy-2-propan-2-ylindole;1-benzyl-6-methoxy-2-propan-2-ylindole-3-carboxylic acid;carbanide;chloroethane;ethanol;methyl 1-benzyl-6-methoxyindole-2-carboxylate;methyl 6-methoxy-1H-indole-2-carboxylate;palladium;phenylmethanamine |
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| PubChem CID | 158777659 |
| Molecular Formula | C138H151ClF4N9O15Pd- |
| Molecular Weight | 2393.64 g/mol |
| Exact Mass | 2391.00 |
| IUPAC Name | 1-benzyl-6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-ylindole-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-methoxy-2-propan-2-ylindole-3-carboxamide;1-benzyl-6-methoxy-2-propan-2-ylindole;1-benzyl-6-methoxy-2-propan-2-ylindole-3-carboxylic acid;carbanide;chloroethane;ethanol;methyl 1-benzyl-6-methoxyindole-2-carboxylate;methyl 6-methoxy-1H-indole-2-carboxylate;palladium;phenylmethanamine |
| SMILES | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC3CCCC3)cc2n1Cc1ccccc1.CCCl.CCO.COC(=O)c1cc2ccc(OC)cc2[nH]1.COC(=O)c1cc2ccc(OC)cc2n1Cc1ccccc1.COc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1.COc1ccc2c(C(=O)O)c(C(C)C)n(Cc3ccccc3)c2c1.COc1ccc2cc(C(C)C)n(Cc3ccccc3)c2c1.NCc1ccccc1.[CH3-].[Pd] |
| InChI | InChI=1S/C31H32F2N2O2.C27H26F2N2O2.C20H21NO3.C19H21NO.C18H17NO3.C11H11NO3.C7H9N.C2H5Cl.C2H6O.CH3.Pd/c1-20(2)30-29(31(36)34-18-22-12-15-26(32)27(33)16-22)25-14-13-24(37-23-10-6-7-11-23)17-28(25)35(30)19-21-8-4-3-5-9-21;1-17(2)26-25(27(32)30-15-19-9-12-22(28)23(29)13-19)21-11-10-20(33-3)14-24(21)31(26)16-18-7-5-4-6-8-18;1-13(2)19-18(20(22)23)16-10-9-15(24-3)11-17(16)21(19)12-14-7-5-4-6-8-14;1-14(2)18-11-16-9-10-17(21-3)12-19(16)20(18)13-15-7-5-4-6-8-15;1-21-15-9-8-14-10-17(18(20)22-2)19(16(14)11-15)12-13-6-4-3-5-7-13;1-14-8-4-3-7-5-10(11(13)15-2)12-9(7)6-8;8-6-7-4-2-1-3-5-7;2*1-2-3;;/h3-5,8-9,12-17,20,23H,6-7,10-11,18-19H2,1-2H3,(H,34,36);4-14,17H,15-16H2,1-3H3,(H,30,32);4-11,13H,12H2,1-3H3,(H,22,23);4-12,14H,13H2,1-3H3;3-11H,12H2,1-2H3;3-6,12H,1-2H3;1-5H,6,8H2;2H2,1H3;3H,2H2,1H3;1H3;/q;;;;;;;;;-1; |
| InChIKey | JPRPAKCSONLRCP-UHFFFAOYSA-N |
| XLogP | 31.00 |
| TPSA | 290.17 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 31 |
| Heavy Atoms | 168 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2393.64 |
| LogP ≤ 5 | 31.00 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 20 |
| Structural Alerts | {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
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