N-[5-(6-cyano-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;bis(N-[5-(6-cyano-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide);N-[5-(6-cyano-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-fluoro-2-methylbenzamide;N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide

C100H52F17N15O15 — CID 159974164

About N-[5-(6-cyano-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;bis(N-[5-(6-cyano-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide);N-[5-(6-cyano-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-fluoro-2-methylbenzamide;N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide

N-[5-(6-cyano-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;bis(N-[5-(6-cyano-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide);N-[5-(6-cyano-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-fluoro-2-methylbenzamide;N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide (PubChem CID 159974164) has the molecular formula C100H52F17N15O15 and a molecular weight of 2028.58 g/mol. Its IUPAC name is N-[5-(6-cyano-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;bis(N-[5-(6-cyano-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide);N-[5-(6-cyano-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-fluoro-2-methylbenzamide;N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide.

Molecular Properties

• Compound Name: N-[5-(6-cyano-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;bis(N-[5-(6-cyano-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide);N-[5-(6-cyano-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-fluoro-2-methylbenzamide;N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide
• PubChem CID: 159974164
• Molecular Formula: C100H52F17N15O15
• Molecular Weight: 2028.58 g/mol
• Exact Mass: 2027.36
• IUPAC Name: N-[5-(6-cyano-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;bis(N-[5-(6-cyano-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide);N-[5-(6-cyano-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-fluoro-2-methylbenzamide;N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide
• SMILES: Cc1ccc(F)cc1C(=O)Nc1ccc(-c2cc3c(cc2C#N)OC(F)(F)O3)cn1.N#Cc1cc2c(cc1-c1ccc(NC(=O)c3c(F)cccc3F)nc1)OC(F)(F)O2.N#Cc1cc2c(cc1-c1ccc(NC(=O)c3c(F)cccc3F)nc1)OC(F)(F)O2.N#Cc1cc2c(cc1-c1cnc(NC(=O)c3c(F)cccc3F)cn1)OC(F)(F)O2.[2H]C1([2H])Oc2cc(C)c(-c3ccc(NC(=O)c4c(F)cccc4F)nc3)cc2O1
• InChI: InChI=1S/C21H12F3N3O3.2C20H9F4N3O3.C20H14F2N2O3.C19H8F4N4O3/c1-11-2-4-14(22)7-15(11)20(28)27-19-5-3-12(10-26-19)16-8-18-17(6-13(16)9-25)29-21(23,24)30-18;2*21-13-2-1-3-14(22)18(13)19(28)27-17-5-4-10(9-26-17)12-7-16-15(6-11(12)8-25)29-20(23,24)30-16;1-11-7-16-17(27-10-26-16)8-13(11)12-5-6-18(23-9-12)24-20(25)19-14(21)3-2-4-15(19)22;20-11-2-1-3-12(21)17(11)18(28)27-16-8-25-13(7-26-16)10-5-15-14(4-9(10)6-24)29-19(22,23)30-15/h2-8,10H,1H3,(H,26,27,28);2*1-7,9H,(H,26,27,28);2-9H,10H2,1H3,(H,23,24,25);1-5,7-8H,(H,26,27,28)/i;;;10D2
• InChIKey: OEXYMJBMFFUZPS-RSJZAWHBSA-N
• XLogP: 21.77
• TPSA: 410.30 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 15
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2028.58
LogP ≤ 5	21.77
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of N-[5-(6-cyano-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;bis(N-[5-(6-cyano-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide);N-[5-(6-cyano-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-fluoro-2-methylbenzamide;N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide?

The IUPAC name of N-[5-(6-cyano-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;bis(N-[5-(6-cyano-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide);N-[5-(6-cyano-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-fluoro-2-methylbenzamide;N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide (CID 159974164) is N-[5-(6-cyano-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;bis(N-[5-(6-cyano-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide);N-[5-(6-cyano-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-fluoro-2-methylbenzamide;N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide.

What is the SMILES notation for N-[5-(6-cyano-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;bis(N-[5-(6-cyano-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide);N-[5-(6-cyano-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-fluoro-2-methylbenzamide;N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide?

The canonical SMILES for N-[5-(6-cyano-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;bis(N-[5-(6-cyano-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide);N-[5-(6-cyano-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-fluoro-2-methylbenzamide;N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide is Cc1ccc(F)cc1C(=O)Nc1ccc(-c2cc3c(cc2C#N)OC(F)(F)O3)cn1.N#Cc1cc2c(cc1-c1ccc(NC(=O)c3c(F)cccc3F)nc1)OC(F)(F)O2.N#Cc1cc2c(cc1-c1ccc(NC(=O)c3c(F)cccc3F)nc1)OC(F)(F)O2.N#Cc1cc2c(cc1-c1cnc(NC(=O)c3c(F)cccc3F)cn1)OC(F)(F)O2.[2H]C1([2H])Oc2cc(C)c(-c3ccc(NC(=O)c4c(F)cccc4F)nc3)cc2O1.

What is the InChIKey of N-[5-(6-cyano-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;bis(N-[5-(6-cyano-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide);N-[5-(6-cyano-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-fluoro-2-methylbenzamide;N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide?

The InChIKey is OEXYMJBMFFUZPS-RSJZAWHBSA-N. The full InChI is InChI=1S/C21H12F3N3O3.2C20H9F4N3O3.C20H14F2N2O3.C19H8F4N4O3/c1-11-2-4-14(22)7-15(11)20(28)27-19-5-3-12(10-26-19)16-8-18-17(6-13(16)9-25)29-21(23,24)30-18;2*21-13-2-1-3-14(22)18(13)19(28)27-17-5-4-10(9-26-17)12-7-16-15(6-11(12)8-25)29-20(23,24)30-16;1-11-7-16-17(27-10-26-16)8-13(11)12-5-6-18(23-9-12)24-20(25)19-14(21)3-2-4-15(19)22;20-11-2-1-3-12(21)17(11)18(28)27-16-8-25-13(7-26-16)10-5-15-14(4-9(10)6-24)29-19(22,23)30-15/h2-8,10H,1H3,(H,26,27,28);2*1-7,9H,(H,26,27,28);2-9H,10H2,1H3,(H,23,24,25);1-5,7-8H,(H,26,27,28)/i;;;10D2;.

What are the key properties of N-[5-(6-cyano-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;bis(N-[5-(6-cyano-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide);N-[5-(6-cyano-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-fluoro-2-methylbenzamide;N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide?

N-[5-(6-cyano-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;bis(N-[5-(6-cyano-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide);N-[5-(6-cyano-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-fluoro-2-methylbenzamide;N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide has a molecular weight of 2028.58 g/mol, XLogP of 21.77, 15 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(6-cyano-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;bis(N-[5-(6-cyano-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide);N-[5-(6-cyano-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-fluoro-2-methylbenzamide;N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide is sourced from PubChem (CID 159974164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).