C114H98Br5Cl3F3N33O17 — CID 159203734
5-bromo-N'-(5-bromopyrimidin-2-yl)-3-chloro-2-hydroxybenzohydrazide;5-bromo-3-chloro-N'-(5-fluoro-6-morpholin-4-yl-2-pyridinyl)-2-hydroxybenzohydrazide;5-bromo-3-chloro-2-hydroxy-N'-quinolin-2-ylbenzohydrazide;N'-(5-bromopyrimidin-2-yl)-2-hydroxybenzohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxybenzohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;2-hydroxy-N'-quinolin-2-ylbenzohydrazide;N'-quinolin-2-ylpyridine-2-carbohydrazide (PubChem CID 159203734) has the molecular formula C114H98Br5Cl3F3N33O17 and a molecular weight of 2765.12 g/mol. Its IUPAC name is 5-bromo-N'-(5-bromopyrimidin-2-yl)-3-chloro-2-hydroxybenzohydrazide;5-bromo-3-chloro-N'-(5-fluoro-6-morpholin-4-yl-2-pyridinyl)-2-hydroxybenzohydrazide;5-bromo-3-chloro-2-hydroxy-N'-quinolin-2-ylbenzohydrazide;N'-(5-bromopyrimidin-2-yl)-2-hydroxybenzohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxybenzohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;2-hydroxy-N'-quinolin-2-ylbenzohydrazide;N'-quinolin-2-ylpyridine-2-carbohydrazide.
| Compound Name | 5-bromo-N'-(5-bromopyrimidin-2-yl)-3-chloro-2-hydroxybenzohydrazide;5-bromo-3-chloro-N'-(5-fluoro-6-morpholin-4-yl-2-pyridinyl)-2-hydroxybenzohydrazide;5-bromo-3-chloro-2-hydroxy-N'-quinolin-2-ylbenzohydrazide;N'-(5-bromopyrimidin-2-yl)-2-hydroxybenzohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxybenzohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;2-hydroxy-N'-quinolin-2-ylbenzohydrazide;N'-quinolin-2-ylpyridine-2-carbohydrazide |
|---|---|
| PubChem CID | 159203734 |
| Molecular Formula | C114H98Br5Cl3F3N33O17 |
| Molecular Weight | 2765.12 g/mol |
| Exact Mass | 2757.28 |
| IUPAC Name | 5-bromo-N'-(5-bromopyrimidin-2-yl)-3-chloro-2-hydroxybenzohydrazide;5-bromo-3-chloro-N'-(5-fluoro-6-morpholin-4-yl-2-pyridinyl)-2-hydroxybenzohydrazide;5-bromo-3-chloro-2-hydroxy-N'-quinolin-2-ylbenzohydrazide;N'-(5-bromopyrimidin-2-yl)-2-hydroxybenzohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxybenzohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;2-hydroxy-N'-quinolin-2-ylbenzohydrazide;N'-quinolin-2-ylpyridine-2-carbohydrazide |
| SMILES | O=C(NNc1ccc(F)c(N2CCOCC2)n1)c1cc(Br)cc(Cl)c1O.O=C(NNc1ccc2ccccc2n1)c1cc(Br)cc(Cl)c1O.O=C(NNc1ccc2ccccc2n1)c1ccccc1O.O=C(NNc1ccc2ccccc2n1)c1ccccn1.O=C(NNc1ncc(Br)cn1)c1cc(Br)cc(Cl)c1O.O=C(NNc1ncc(Br)cn1)c1ccccc1O.O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccccc1O.O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccccn1 |
| InChI | InChI=1S/C16H15BrClFN4O3.C16H11BrClN3O2.C16H13N3O2.C15H16FN5O3.C15H12N4O.C14H15FN6O2.C11H7Br2ClN4O2.C11H9BrN4O2/c17-9-7-10(14(24)11(18)8-9)16(25)22-21-13-2-1-12(19)15(20-13)23-3-5-26-6-4-23;17-10-7-11(15(22)12(18)8-10)16(23)21-20-14-6-5-9-3-1-2-4-13(9)19-14;20-14-8-4-2-6-12(14)16(21)19-18-15-10-9-11-5-1-3-7-13(11)17-15;16-11-9-17-15(18-13(11)21-5-7-24-8-6-21)20-19-14(23)10-3-1-2-4-12(10)22;20-15(13-7-3-4-10-16-13)19-18-14-9-8-11-5-1-2-6-12(11)17-14;15-10-9-17-14(18-12(10)21-5-7-23-8-6-21)20-19-13(22)11-3-1-2-4-16-11;12-5-1-7(9(19)8(14)2-5)10(20)17-18-11-15-3-6(13)4-16-11;12-7-5-13-11(14-6-7)16-15-10(18)8-3-1-2-4-9(8)17/h1-2,7-8,24H,3-6H2,(H,20,21)(H,22,25);1-8,22H,(H,19,20)(H,21,23);1-10,20H,(H,17,18)(H,19,21);1-4,9,22H,5-8H2,(H,19,23)(H,17,18,20);1-10H,(H,17,18)(H,19,20);1-4,9H,5-8H2,(H,19,22)(H,17,18,20);1-4,19H,(H,17,20)(H,15,16,18);1-6,17H,(H,15,18)(H,13,14,16) |
| InChIKey | KPPNEPFIVBINNQ-UHFFFAOYSA-N |
| XLogP | 18.47 |
| TPSA | 668.29 Ų |
| H-Bond Donors | 22 |
| H-Bond Acceptors | 42 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 175 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2765.12 |
| LogP ≤ 5 | 18.47 |
| H-Bond Donors ≤ 5 | 22 |
| H-Bond Acceptors ≤ 10 | 42 |
| Structural Alerts | {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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