Chem
J-GLOBAL ID：200907064169576716   Nikkaji number：J2.241.657J

5,5′-(2-Fluoroisophthaloyl)bis[N,N-dioctyl-3-(2-fluorobenzoylamino)-4-fluorobenzamide]

5,5′-(2-フルオロイソフタロイル)ビス[N,N-ジオクチル-3-(2-フルオロベンゾイルアミノ)-4-フルオロベンズアミド]
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C68H85F5N4O6
Molecular formula furigana： C68-H85-F5-N4-O6
Molecular weight： 1149.442
InChI： InChI=1S/C68H85F5N4O6/c1-5-9-13-17-21-29-40-76(41-30-22-18-14-10-6-2)67(82)48-44-54(61(72)58(46-48)74-65(80)50-34-25-27-38-56(50)69)63(78)52-36-33-37-53(60(52)71)64(79)55-45-49(47-59(62(55)73)75-66(81)51-35-26-28-39-57(51)70)68(83)77(42-31-23-19-15-11-7-3)43-32-24-20-16-12-8-4/h25-28,33-39,44-47H,5-24,29-32,40-43H2,1-4H3,(H,74,80)(H,75,81)
InChI key： KGUWOFRUTKJSBP-UHFFFAOYSA-N
SMILES： CCCCCCCCN(CCCCCCCC)C(=O)c1cc(NC(=O)c2ccccc2F)c(F)c(c1)C(=O)c1cccc(C(=O)c2cc(cc(NC(=O)c3ccccc3F)c2F)C(=O)N(CCCCCCCC)CCCCCCCC)c1F
Systematic name  (3)：
  • 5,5′-(2-フルオロイソフタロイル)ビス[N,N-ジオクチル-3-(2-フルオロベンゾイルアミノ)-4-フルオロベンズアミド]
  • 3-{3-[5-(ジオクチルカルバモイル)-2-フルオロ-3-(2-フルオロベンズアミド)ベンゾイル]-2-フルオロベンゾイル}-4-フルオロ-5-(2-フルオロベンズアミド)-N,N-ジオクチルベンズアミド
  • 3-{3-[5-(dioctylcarbamoyl)-2-fluoro-3-(2-fluorobenzamido)benzoyl]-2-fluorobenzoyl}-4-fluoro-5-(2-fluorobenzamido)-N,N-dioctylbenzamide
Other name (1)：
  • 5,5′-(2-Fluoroisophthaloyl)bis[N,N-dioctyl-3-(2-fluorobenzoylamino)-4-fluorobenzamide]
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