2-azanyl-N-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]-3-methyl-pentanamide

Systemtic Name: 2-azanyl-N-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]-3-methyl-pentanamide Openeye Name: 2-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-methyl-pentanamide CAS Name: 2-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-methylpentanamide IUPAC Name: 2-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-methylpentanamide Traditional Name: 2-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-methyl-valeramide Formula: C13H16F2N2O3 MolecularWeight: 286.274546

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=CC2=C(C=C1)OC(O2)(F)F)N

Isomeric SMILES

CCC(C)C(C(=O)NC1=CC2=C(C=C1)OC(O2)(F)F)N

InChI

InChI=1S/C13H16F2N2O3/c1-3-7(2)11(16)12(18)17-8-4-5-9-10(6-8)20-13(14,15)19-9/h4-7,11H,3,16H2,1-2H3,(H,17,18)