C137H136Cl12F2N14O20 — CID 158898581
N-[3-(2,6-dichlorophenyl)propyl]-1-(3-fluoro-5-methylphenyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide;N-[3-(3,4-dichlorophenyl)propyl]-1-(3-fluoro-5-methylphenyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide;N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-5-methylidene-1-phenyl-2H-pyrrole-3-carboxamide;N-[3-(2,6-dichlorophenyl)propyl]-4-hydroxy-1-methyl-5-methylidene-2H-pyrrole-3-carboxamide;bis(N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-(4-methylphenyl)-5-oxo-2H-pyrrole-3-carboxamide);4-hydroxy-N-[3-(3-hydroxyphenoxy)propyl]-1-methyl-5-methylidene-2H-pyrrole-3-carboxamide (PubChem CID 158898581) has the molecular formula C137H136Cl12F2N14O20 and a molecular weight of 2762.10 g/mol. Its IUPAC name is N-[3-(2,6-dichlorophenyl)propyl]-1-(3-fluoro-5-methylphenyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide;N-[3-(3,4-dichlorophenyl)propyl]-1-(3-fluoro-5-methylphenyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide;N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-5-methylidene-1-phenyl-2H-pyrrole-3-carboxamide;N-[3-(2,6-dichlorophenyl)propyl]-4-hydroxy-1-methyl-5-methylidene-2H-pyrrole-3-carboxamide;bis(N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-(4-methylphenyl)-5-oxo-2H-pyrrole-3-carboxamide);4-hydroxy-N-[3-(3-hydroxyphenoxy)propyl]-1-methyl-5-methylidene-2H-pyrrole-3-carboxamide.
| Compound Name | N-[3-(2,6-dichlorophenyl)propyl]-1-(3-fluoro-5-methylphenyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide;N-[3-(3,4-dichlorophenyl)propyl]-1-(3-fluoro-5-methylphenyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide;N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-5-methylidene-1-phenyl-2H-pyrrole-3-carboxamide;N-[3-(2,6-dichlorophenyl)propyl]-4-hydroxy-1-methyl-5-methylidene-2H-pyrrole-3-carboxamide;bis(N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-(4-methylphenyl)-5-oxo-2H-pyrrole-3-carboxamide);4-hydroxy-N-[3-(3-hydroxyphenoxy)propyl]-1-methyl-5-methylidene-2H-pyrrole-3-carboxamide |
|---|---|
| PubChem CID | 158898581 |
| Molecular Formula | C137H136Cl12F2N14O20 |
| Molecular Weight | 2762.10 g/mol |
| Exact Mass | 2754.63 |
| IUPAC Name | N-[3-(2,6-dichlorophenyl)propyl]-1-(3-fluoro-5-methylphenyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide;N-[3-(3,4-dichlorophenyl)propyl]-1-(3-fluoro-5-methylphenyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide;N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-5-methylidene-1-phenyl-2H-pyrrole-3-carboxamide;N-[3-(2,6-dichlorophenyl)propyl]-4-hydroxy-1-methyl-5-methylidene-2H-pyrrole-3-carboxamide;bis(N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-(4-methylphenyl)-5-oxo-2H-pyrrole-3-carboxamide);4-hydroxy-N-[3-(3-hydroxyphenoxy)propyl]-1-methyl-5-methylidene-2H-pyrrole-3-carboxamide |
| SMILES | C=C1C(O)=C(C(=O)NCCCOc2cccc(O)c2)CN1C.C=C1C(O)=C(C(=O)NCCCc2c(Cl)cccc2Cl)CN1C.C=C1C(O)=C(C(=O)NCCCc2ccc(Cl)c(Cl)c2)CN1c1ccccc1.Cc1cc(F)cc(N2CC(C(=O)NCCCc3c(Cl)cccc3Cl)=C(O)C2=O)c1.Cc1cc(F)cc(N2CC(C(=O)NCCCc3ccc(Cl)c(Cl)c3)=C(O)C2=O)c1.Cc1ccc(N2CC(C(=O)NCCCc3ccc(Cl)c(Cl)c3)=C(O)C2=O)cc1.Cc1ccc(N2CC(C(=O)NCCCc3ccc(Cl)c(Cl)c3)=C(O)C2=O)cc1 |
| InChI | InChI=1S/2C21H19Cl2FN2O3.2C21H20Cl2N2O3.C21H20Cl2N2O2.C16H18Cl2N2O2.C16H20N2O4/c1-12-8-13(24)10-14(9-12)26-11-16(19(27)21(26)29)20(28)25-7-3-4-15-17(22)5-2-6-18(15)23;1-12-7-14(24)10-15(8-12)26-11-16(19(27)21(26)29)20(28)25-6-2-3-13-4-5-17(22)18(23)9-13;2*1-13-4-7-15(8-5-13)25-12-16(19(26)21(25)28)20(27)24-10-2-3-14-6-9-17(22)18(23)11-14;1-14-20(26)17(13-25(14)16-7-3-2-4-8-16)21(27)24-11-5-6-15-9-10-18(22)19(23)12-15;1-10-15(21)12(9-20(10)2)16(22)19-8-4-5-11-13(17)6-3-7-14(11)18;1-11-15(20)14(10-18(11)2)16(21)17-7-4-8-22-13-6-3-5-12(19)9-13/h2,5-6,8-10,27H,3-4,7,11H2,1H3,(H,25,28);4-5,7-10,27H,2-3,6,11H2,1H3,(H,25,28);2*4-9,11,26H,2-3,10,12H2,1H3,(H,24,27);2-4,7-10,12,26H,1,5-6,11,13H2,(H,24,27);3,6-7,21H,1,4-5,8-9H2,2H3,(H,19,22);3,5-6,9,19-20H,1,4,7-8,10H2,2H3,(H,17,21) |
| InChIKey | JFDHWAORDKQNHG-UHFFFAOYSA-N |
| XLogP | 26.87 |
| TPSA | 465.73 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 41 |
| Heavy Atoms | 185 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2762.10 |
| LogP ≤ 5 | 26.87 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 23 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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