J0Y

(2R)-2,3,3,3-tetrafluoro-N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]propanamide

Created: 2018-08-03
Last modified:  2018-12-26

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Chemical Details

Formal Charge0
Atom Count40
Chiral Atom Count2
Bond Count41
Aromatic Bond Count12
2D diagram of J0Y
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Chemical Component Summary

Name(2R)-2,3,3,3-tetrafluoro-N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]propanamide
Systematic Name (OpenEye OEToolkits)(2~{R})-2,3,3,3-tetrakis(fluoranyl)-~{N}-[(1~{R})-2-(oxidanylamino)-2-oxidanylidene-1-[4-[3,4,5-tris(fluoranyl)phenyl]phenyl]ethyl]propanamide
FormulaC17 H11 F7 N2 O3
Molecular Weight424.27
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01FC(F)(F)C(F)C(=O)NC(C(=O)NO)c1ccc(cc1)c2cc(F)c(c(c2)F)F
SMILESCACTVS3.385ONC(=O)[CH](NC(=O)[CH](F)C(F)(F)F)c1ccc(cc1)c2cc(F)c(F)c(F)c2
SMILESOpenEye OEToolkits2.0.6c1cc(ccc1c2cc(c(c(c2)F)F)F)C(C(=O)NO)NC(=O)C(C(F)(F)F)F
Canonical SMILESCACTVS3.385 ONC(=O)[C@H](NC(=O)[C@@H](F)C(F)(F)F)c1ccc(cc1)c2cc(F)c(F)c(F)c2
Canonical SMILESOpenEye OEToolkits2.0.6 c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)[C@H](C(F)(F)F)F
InChIInChI1.03 InChI=1S/C17H11F7N2O3/c18-10-5-9(6-11(19)12(10)20)7-1-3-8(4-2-7)13(15(27)26-29)25-16(28)14(21)17(22,23)24/h1-6,13-14,29H,(H,25,28)(H,26,27)/t13-,14-/m1/s1
InChIKeyInChI1.03 RMDXUADAMJFUFR-ZIAGYGMSSA-N

Related Resource References

Resource NameReference
PubChem 135397725