LW5

4-acetamido-3-fluoranyl-~{N}-(4-oxidanylcyclohexyl)-5-[(1~{S})-1-phenylethoxy]benzamide

Created:2019-09-23
Last modified:  2020-04-01

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Chemical Details

Formal Charge0
Atom Count57
Chiral Atom Count1
Bond Count59
Aromatic Bond Count12
2D diagram of LW5

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Chemical Component Summary

Name4-acetamido-3-fluoranyl-~{N}-(4-oxidanylcyclohexyl)-5-[(1~{S})-1-phenylethoxy]benzamide
Systematic Name (OpenEye OEToolkits)4-acetamido-3-fluoranyl-~{N}-(4-oxidanylcyclohexyl)-5-[(1~{S})-1-phenylethoxy]benzamide
FormulaC23 H27 F N2 O4
Molecular Weight414.47
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385C[CH](Oc1cc(cc(F)c1NC(C)=O)C(=O)N[CH]2CC[CH](O)CC2)c3ccccc3
SMILESOpenEye OEToolkits2.0.7CC(c1ccccc1)Oc2cc(cc(c2NC(=O)C)F)C(=O)NC3CCC(CC3)O
Canonical SMILESCACTVS3.385 C[C@H](Oc1cc(cc(F)c1NC(C)=O)C(=O)N[C@H]2CC[C@H](O)CC2)c3ccccc3
Canonical SMILESOpenEye OEToolkits2.0.7 C[C@@H](c1ccccc1)Oc2cc(cc(c2NC(=O)C)F)C(=O)NC3CCC(CC3)O
InChIInChI1.03 InChI=1S/C23H27FN2O4/c1-14(16-6-4-3-5-7-16)30-21-13-17(12-20(24)22(21)25-15(2)27)23(29)26-18-8-10-19(28)11-9-18/h3-7,12-14,18-19,28H,8-11H2,1-2H3,(H,25,27)(H,26,29)/t14-,18-,19-/m0/s1
InChIKeyInChI1.03 FRBRZGLUFOZRGD-JVPBZIDWSA-N