3-(2-氧代-2-苯乙基)苯甲酰胺 | 465514-78-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 中文名称: 3-(2-氧代-2-苯乙基)苯甲酰胺
• 英文名称: 3-(2-Oxo-2-phenylethyl)benzamide
• 英文别名: 3-phenacylbenzamide
• CAS: 465514-78-7
• 化学式: C₁₅H₁₃NO₂
• 分子量: 239.27
• InChiKey: DLIMHJASWFYFOX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  60.2
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 安全说明：
  S24/25

文献信息

• 11beta-hydroxysteroid dehydrogenase inhibitors
  申请人：Vicker Nigel

  公开号：US20050227987A1

  公开（公告）日：2005-10-13

  A compound having Formula I R 1 -Z-R 2 Formula I wherein R 1 is an optionally substituted phenyl ring; R 2 is or comprises an optionally substituted-aromatic ring; and Z is -X-Y-L- or -Y-X-L- wherein either X is selected from —S(═O)(═O)— and —C(═O)—, and Y is —NR 3 —; or X is selected from —S(═O)(═O)— and —S—, and Y is —C(R 4 )(R 5 )—; L is an optional linker; and R 3 , R 4 and R 5 are each independently selected from H and hydrocarbyl; and wherein when R 2 comprises the following structural moiety wherein Q is an atom selected from the group consisting of S, O, N and C; the compound is selected from compounds of the formulae R 1 C(═O)—NR 3 -L-R 2 ; R 1 —S(═O)(═O)—C(R 4 )(R 5 )-L-R 2 ; R 1 —S—C(R 4 )(R 5 )-L-R 2 ; R 1 —NR 3 —S(═O)(═O)-L-R 2 ; R 1 —NR 3 —C(═O)-L-R 2 ; R 1 —C(R 4 )(R 5 )—S(═O)(═O)-L-R 2 ; and R 1 —C(R 4 )(R 5 )—S-L-R 2 .

  化合物的化学式为IR1-Z-R2，其中R1为可选取代的苯环；R2为或包含可选取代的芳香环；Z为-X-Y-L-或-Y-X-L-，其中X选自—S(═O)(═O)—和—C(═O)—，Y为—NR3—；或X选自—S(═O)(═O)—和—S—，Y为—C(R4)(R5)—；L为可选的连接基；R3、R4和R5各自独立选择自H和烃基；当R2包含以下结构基团时Q为S、O、N和C中选择的原子，则该化合物被选择为下列化合物的公式：R1C(═O)—NR3-L-R2；R1—S(═O)(═O)—C(R4)(R5)-L-R2；R1—S—C(R4)(R5)-L-R2；R1—NR3—S(═O)(═O)-L-R2；R1—NR3—C(═O)-L-R2；R1—C(R4)(R5)—S(═O)(═O)-L-R2；和R1—C(R4)(R5)—S-L-R2。