HCID640316

4,5-dibromo-N-(3-oxopropyl)-1H-pyrrole-2-carboxamide

C8H8Br2N2O2323.97 g/mol

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IDENTITY

结构与身份

标准SMILES: O=CCCNC(=O)c1cc(Br)c(Br)[nH]1
InChIKey: JTGOEAKUSWRSHE-UHFFFAOYSA-N
分子式: C8H8Br2N2O2
平均分子量: 323.97 g/mol
单同位素质量: 321.89525

COMPUTED

结构计算性质

已同步

XLogP: 1.5
极性表面积: 62 Å²
氢键供体: 2
氢键受体: 2
可旋转键: 4
重原子: 14
形式电荷: 0
复杂度: 225

ALIASES

名称与别名

共 6 条

4,5-dibromo-N-(3-oxopropyl)-1H-pyrrole-2-carboxamideSCHEMBL7152545JTGOEAKUSWRSHE-UHFFFAOYSA-N4,5-Dibromo-N-(3-oxopropyl)pyrrole-2-carboxamide1H-pyrrole-2-carboxamide, 4,5-dibromo-N-(3-oxopropyl)-InChI=1/C8H8Br2N2O2/c9-5-4-6(12-7(5)10)8(14)11-2-1-3-13/h3-4,12H,1-2H2,(H,11,14

REACTIONS

参与反应

6 条

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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uspto-grants-2001_03 · 10.6084/m9.figshare.5104873.v1 · US06197954B1

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uspto-grants-2001_03 · 10.6084/m9.figshare.5104873.v1 · US06197954B1

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Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D

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uspto-grants-2003_03 · 10.6084/m9.figshare.5104873.v1 · US06528646B2

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uspto-grants-2003_03 · 10.6084/m9.figshare.5104873.v1 · US06528646B2

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