J4P

(2R)-2-[(cyclopentylacetyl)amino]-N-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide

Created: 2018-08-13
Last modified:  2018-12-26

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Chemical Details

Formal Charge0
Atom Count50
Chiral Atom Count1
Bond Count52
Aromatic Bond Count12
2D diagram of J4P
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Chemical Component Summary

Name(2R)-2-[(cyclopentylacetyl)amino]-N-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide
Systematic Name (OpenEye OEToolkits)(2~{R})-2-(2-cyclopentylethanoylamino)-~{N}-oxidanyl-2-[4-[3,4,5-tris(fluoranyl)phenyl]phenyl]ethanamide
FormulaC21 H21 F3 N2 O3
Molecular Weight406.398
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01N(C(c1ccc(cc1)c2cc(c(c(c2)F)F)F)C(=O)NO)C(CC3CCCC3)=O
SMILESCACTVS3.385ONC(=O)[CH](NC(=O)CC1CCCC1)c2ccc(cc2)c3cc(F)c(F)c(F)c3
SMILESOpenEye OEToolkits2.0.6c1cc(ccc1c2cc(c(c(c2)F)F)F)C(C(=O)NO)NC(=O)CC3CCCC3
Canonical SMILESCACTVS3.385 ONC(=O)[C@H](NC(=O)CC1CCCC1)c2ccc(cc2)c3cc(F)c(F)c(F)c3
Canonical SMILESOpenEye OEToolkits2.0.6 c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)CC3CCCC3
InChIInChI1.03 InChI=1S/C21H21F3N2O3/c22-16-10-15(11-17(23)19(16)24)13-5-7-14(8-6-13)20(21(28)26-29)25-18(27)9-12-3-1-2-4-12/h5-8,10-12,20,29H,1-4,9H2,(H,25,27)(H,26,28)/t20-/m1/s1
InChIKeyInChI1.03 HNDYSIVAWBSELI-HXUWFJFHSA-N

Related Resource References

Resource NameReference
PubChem 135397731