Cas no 5344-95-6 (1-n,3-n-bis(4-iodophenyl)benzene-1,3-dicarboxamide)

1-n,3-n-bis(4-iodophenyl)benzene-1,3-dicarboxamide structure
5344-95-6 structure
Product Name:1-n,3-n-bis(4-iodophenyl)benzene-1,3-dicarboxamide
CAS No:5344-95-6
MF:C20H14I2N2O2
MW:568.146309375763
CID:1582404
PubChem ID:2842579
Update Time:2025-04-21

1-n,3-n-bis(4-iodophenyl)benzene-1,3-dicarboxamide Chemical and Physical Properties

Names and Identifiers

    • 1-n,3-n-bis(4-iodophenyl)benzene-1,3-dicarboxamide
    • AC1MDT8Z
    • N,N'-bis(4-iodophenyl)benzene-1,3-dicarboxamide
    • MolPort-001-507-201
    • STL260566
    • AKOS001603942
    • MCULE-6208764459
    • ST011851
    • EU-0002372
    • N-(4-iodophenyl){3-[N-(4-iodophenyl)carbamoyl]phenyl}carboxamide
    • AC1MDT8Z; N,N'-bis(4-iodophenyl)benzene-1,3-dicarboxamide; MolPort-001-507-201; STL260566; AKOS001603942; MCULE-6208764459; ST011851; EU-0002372; N-(4-iodophenyl){3-[N-(4-iodophenyl)carbamoyl]phenyl}carboxamide;
    • N1,N3-BIS(4-IODOPHENYL)BENZENE-1,3-DICARBOXAMIDE
    • N,N'-bis(4-iodophenyl)isophthalamide
    • 5344-95-6
    • DTXSID90385712
    • N,N'-BIS-(4-IODO-PHENYL)-ISOPHTHALAMIDE
    • Inchi: 1S/C20H14I2N2O2/c21-15-4-8-17(9-5-15)23-19(25)13-2-1-3-14(12-13)20(26)24-18-10-6-16(22)7-11-18/h1-12H,(H,23,25)(H,24,26)
    • InChI Key: KSQHIEWXNTZCMW-UHFFFAOYSA-N
    • SMILES: IC1C=CC(=CC=1)NC(C1C=CC=C(C(NC2C=CC(=CC=2)I)=O)C=1)=O

Computed Properties

  • Exact Mass: 567.91362
  • Monoisotopic Mass: 567.914
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 4
  • Complexity: 444
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.9
  • Topological Polar Surface Area: 58.2?2

Experimental Properties

  • Density: 1.95
  • Boiling Point: 483.3°C at 760 mmHg
  • Flash Point: 246.1°C
  • Refractive Index: 1.771
  • PSA: 58.2
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