indoline-2-carboxylic acid N-(3,5-dichlorophenyl)amide | 1226911-06-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: indoline-2-carboxylic acid N-(3,5-dichlorophenyl)amide
• 英文别名: N-(3,5-dichlorophenyl)-2,3-dihydro-1H-indole-2-carboxamide
• CAS: 1226911-06-3
• 化学式: C₁₅H₁₂Cl₂N₂O
• 分子量: 307.179
• InChiKey: JYXGYSGOQZMVJL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  41.1
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  壬酰氯 、 indoline-2-carboxylic acid N-(3,5-dichlorophenyl)amide 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 生成 N-(3,5-dichlorophenyl)-1-nonanoyl-2,3-dihydroindole-2-carboxamide
  参考文献：
  名称：

  Structure–activity relationship of indoline-2-carboxylic acid N-(substituted)phenylamide derivatives

  摘要：

  Chroman derivatives exhibited potent inhibitory activity of NF-kappa B. For SAR, the chroman scaffold was modified with an indoline moiety. A series of indoline-2-carboxylic acid N-(substituted)phenylamide derivatives were synthesized to explore their inhibitory activities of NF-kappa B and they were also evaluated for cytotoxicity against various cancer cell lines. Since intermediates with Boc showed outstanding results, various substituents in place of the Boc group were introduced additionally and these compounds were also evaluated for SAR. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.06.004