N-[(2-chlorophenyl)methylideneamino]hexadecanamide | 765912-74-1

• 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-[(2-chlorophenyl)methylideneamino]hexadecanamide
• CAS: 765912-74-1
• 化学式: C₂₃H₃₇ClN₂O
• 分子量: 393.013
• InChiKey: HOAXMTDKGUHSQZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.1
• 重原子数：
  27
• 可旋转键数：
  16
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  41.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  棕榈酸酰肼 、 2-氯苯甲醛 以 乙醇 为溶剂， 以63%的产率得到N-[(2-chlorophenyl)methylideneamino]hexadecanamide
  参考文献：
  名称：

  Benzylidene/2-chlorobenzylidene hydrazides: Synthesis, antimicrobial activity, QSAR studies and antiviral evaluation

  摘要：

  A series of benzylidene hydrazides (1-20) was synthesized and tested, in vitro, for antibacterial, antifungal and antiviral activities. The microbial screening results indicated that compounds having chloro and nitro substituents were the most active ones. The antiviral evaluation depicted that compounds 9 and 19 were active against Vesicular stomatitis virus (VSV) in HeLa cell cultures. QSAR investigations indicated that the multi-target QSAR model was effective in describing the antimicrobial (antibacterial and antifungal) activity over the one-target QSAR models. Further the mt-QSAR model indicated that the topological parameters, second order molecular connectivity index ((2)chi) and third order Kier's alpha shape index (kappa alpha(3)) are effective in describing the antimicrobial activity of synthesized hydrazides. (C) 2010 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2010.03.002

文献信息

• Benzylidene/2-chlorobenzylidene hydrazides: Synthesis, antimicrobial activity, QSAR studies and antiviral evaluation
  作者：Davinder Kumar、Vikramjeet Judge、Rakesh Narang、Sonia Sangwan、Erik De Clercq、Jan Balzarini、Balasubramanian Narasimhan

  DOI：10.1016/j.ejmech.2010.03.002

  日期：2010.7

  A series of benzylidene hydrazides (1-20) was synthesized and tested, in vitro, for antibacterial, antifungal and antiviral activities. The microbial screening results indicated that compounds having chloro and nitro substituents were the most active ones. The antiviral evaluation depicted that compounds 9 and 19 were active against Vesicular stomatitis virus (VSV) in HeLa cell cultures. QSAR investigations indicated that the multi-target QSAR model was effective in describing the antimicrobial (antibacterial and antifungal) activity over the one-target QSAR models. Further the mt-QSAR model indicated that the topological parameters, second order molecular connectivity index ((2)chi) and third order Kier's alpha shape index (kappa alpha(3)) are effective in describing the antimicrobial activity of synthesized hydrazides. (C) 2010 Elsevier Masson SAS. All rights reserved.