4TL

N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluorobiphenyl-4-yl)ethyl]-2,2-dimethylpropanamide

Created: 2015-05-22
Last modified:  2016-03-30

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Chemical Details

Formal Charge0
Atom Count46
Chiral Atom Count1
Bond Count47
Aromatic Bond Count12
2D diagram of 4TL
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Chemical Component Summary

NameN-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluorobiphenyl-4-yl)ethyl]-2,2-dimethylpropanamide
Systematic Name (OpenEye OEToolkits)2,2-dimethyl-N-[(1R)-2-(oxidanylamino)-2-oxidanylidene-1-[4-[3,4,5-tris(fluoranyl)phenyl]phenyl]ethyl]propanamide
FormulaC19 H19 F3 N2 O3
Molecular Weight380.361
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01CC(C)(C(NC(c1ccc(cc1)c2cc(F)c(F)c(F)c2)C(=O)NO)=O)C
SMILESCACTVS3.385CC(C)(C)C(=O)N[CH](C(=O)NO)c1ccc(cc1)c2cc(F)c(F)c(F)c2
SMILESOpenEye OEToolkits1.9.2CC(C)(C)C(=O)NC(c1ccc(cc1)c2cc(c(c(c2)F)F)F)C(=O)NO
Canonical SMILESCACTVS3.385 CC(C)(C)C(=O)N[C@@H](C(=O)NO)c1ccc(cc1)c2cc(F)c(F)c(F)c2
Canonical SMILESOpenEye OEToolkits1.9.2 CC(C)(C)C(=O)N[C@H](c1ccc(cc1)c2cc(c(c(c2)F)F)F)C(=O)NO
InChIInChI1.03 InChI=1S/C19H19F3N2O3/c1-19(2,3)18(26)23-16(17(25)24-27)11-6-4-10(5-7-11)12-8-13(20)15(22)14(21)9-12/h4-9,16,27H,1-3H3,(H,23,26)(H,24,25)/t16-/m1/s1
InChIKeyInChI1.03 WUJRZUJJQZMYBN-MRXNPFEDSA-N

Related Resource References

Resource NameReference
PubChem 118797858