UFJ

N~1~-hydroxy-N~8~-(4-iodophenyl)octanediamide

Created: 2020-05-14
Last modified:  2020-09-02

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Chemical Details

Formal Charge0
Atom Count39
Chiral Atom Count0
Bond Count39
Aromatic Bond Count6
2D diagram of UFJ

Chemical Component Summary

NameN~1~-hydroxy-N~8~-(4-iodophenyl)octanediamide
Systematic Name (OpenEye OEToolkits)~{N}-(4-iodophenyl)-~{N}'-oxidanyl-octanediamide
FormulaC14 H19 I N2 O3
Molecular Weight390.217
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01c1c(ccc(c1)NC(CCCCCCC(=O)NO)=O)I
SMILESCACTVS3.385ONC(=O)CCCCCCC(=O)Nc1ccc(I)cc1
SMILESOpenEye OEToolkits2.0.7c1cc(ccc1NC(=O)CCCCCCC(=O)NO)I
Canonical SMILESCACTVS3.385 ONC(=O)CCCCCCC(=O)Nc1ccc(I)cc1
Canonical SMILESOpenEye OEToolkits2.0.7 c1cc(ccc1NC(=O)CCCCCCC(=O)NO)I
InChIInChI1.03 InChI=1S/C14H19IN2O3/c15-11-7-9-12(10-8-11)16-13(18)5-3-1-2-4-6-14(19)17-20/h7-10,20H,1-6H2,(H,16,18)(H,17,19)
InChIKeyInChI1.03 BYVHZKAHBXINPL-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 46205754
ChEMBL CHEMBL1091578