N-(4-Amino-2-benzoyl-phenyl)-2-(2-trifluoromethyl-phenyl)-acetamide | 550364-96-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-(4-Amino-2-benzoyl-phenyl)-2-(2-trifluoromethyl-phenyl)-acetamide
• 英文别名: N-(4-amino-2-benzoylphenyl)-2-[2-(trifluoromethyl)phenyl]acetamide
• CAS: 550364-96-0
• 化学式: C₂₂H₁₇F₃N₂O₂
• 分子量: 398.384
• InChiKey: CLJVGZDALSIVSN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  29.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  72.19
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  3-[5-(4-nitrophenyl)-2-furyl]acrylic acid chloride 、 N-(4-Amino-2-benzoyl-phenyl)-2-(2-trifluoromethyl-phenyl)-acetamide 以 1,4-二氧六环 、 甲苯 为溶剂， 反应 2.0h， 生成 (E)-N-[3-benzoyl-4-[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]phenyl]-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enamide
  参考文献：
  名称：

  Structure–Activity relationships of novel anti-Malarial agents: Part 5. N-(4-acylamino-3-benzoylphenyl)-[5-(4-nitrophenyl)-2-furyl]acrylic acid amides

  摘要：

  We have developed the [5-(4-nitrophenyl)-2-furyl]acrylic acid substituted benzophenone 4g as a novel lead for antimalarial agents. Here, we demonstrated that the acyl residue at the 2-amino group of the benzophenone core structure has to be a phenylacetic acid substructure substituted in its para-position with methyl or other substituents of similar size. The triauoromethyl substituted derivative displayed an IC50 of 47 nM against the multi-drug resistant Plasmodium falciparum strain Dd2. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)01003-x
• 作为产物：
  描述：

  N-(2-Benzoyl-4-nitro-phenyl)-2-(2-trifluoromethyl-phenyl)-acetamide 在 tin(ll) chloride 作用下， 以 乙酸乙酯 为溶剂， 反应 2.0h， 生成 N-(4-Amino-2-benzoyl-phenyl)-2-(2-trifluoromethyl-phenyl)-acetamide
  参考文献：
  名称：

  Structure–Activity relationships of novel anti-Malarial agents: Part 5. N-(4-acylamino-3-benzoylphenyl)-[5-(4-nitrophenyl)-2-furyl]acrylic acid amides

  摘要：

  We have developed the [5-(4-nitrophenyl)-2-furyl]acrylic acid substituted benzophenone 4g as a novel lead for antimalarial agents. Here, we demonstrated that the acyl residue at the 2-amino group of the benzophenone core structure has to be a phenylacetic acid substructure substituted in its para-position with methyl or other substituents of similar size. The triauoromethyl substituted derivative displayed an IC50 of 47 nM against the multi-drug resistant Plasmodium falciparum strain Dd2. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)01003-x