N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,2-difluoro-1,3-benzodioxole-4-carboxamide;N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]-3-methylpyridine-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylbenzamide

C116H71BrF17N15O20 — CID 158048085

About N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,2-difluoro-1,3-benzodioxole-4-carboxamide;N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]-3-methylpyridine-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylbenzamide

N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,2-difluoro-1,3-benzodioxole-4-carboxamide;N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]-3-methylpyridine-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylbenzamide (PubChem CID 158048085) has the molecular formula C116H71BrF17N15O20 and a molecular weight of 2397.80 g/mol. Its IUPAC name is N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,2-difluoro-1,3-benzodioxole-4-carboxamide;N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]-3-methylpyridine-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylbenzamide.

Molecular Properties

• Compound Name: N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,2-difluoro-1,3-benzodioxole-4-carboxamide;N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]-3-methylpyridine-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylbenzamide
• PubChem CID: 158048085
• Molecular Formula: C116H71BrF17N15O20
• Molecular Weight: 2397.80 g/mol
• Exact Mass: 2395.39
• IUPAC Name: N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,2-difluoro-1,3-benzodioxole-4-carboxamide;N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]-3-methylpyridine-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylbenzamide
• SMILES: Cc1cc2c(cc1-c1ccc(NC(=O)c3c(F)cccc3F)nc1)OC(F)(F)O2.Cc1ccccc1C(=O)Nc1ccc(-c2cc3c(cc2C)OC(F)(F)O3)cn1.Cc1cccnc1C(=O)Nc1ccc(-c2cccc3c2OC(F)(F)O3)cn1.O=C(Nc1ccc(-c2cc3c(cc2Br)OCO3)cn1)c1cccc2c1OC(F)(F)O2.O=C(Nc1cnc(-c2cccc3c2OC(F)(F)O3)cn1)c1c(F)cccc1F.O=C(Nc1cnc(-c2cccc3c2OC(F)(F)O3)cn1)c1ccccc1F
• InChI: InChI=1S/C21H16F2N2O3.C20H11BrF2N2O5.C20H12F4N2O3.C19H13F2N3O3.C18H9F4N3O3.C18H10F3N3O3/c1-12-5-3-4-6-15(12)20(26)25-19-8-7-14(11-24-19)16-10-18-17(9-13(16)2)27-21(22,23)28-18;21-13-7-16-15(27-9-28-16)6-12(13)10-4-5-17(24-8-10)25-19(26)11-2-1-3-14-18(11)30-20(22,23)29-14;1-10-7-15-16(29-20(23,24)28-15)8-12(10)11-5-6-17(25-9-11)26-19(27)18-13(21)3-2-4-14(18)22;1-11-4-3-9-22-16(11)18(25)24-15-8-7-12(10-23-15)13-5-2-6-14-17(13)27-19(20,21)26-14;19-10-4-2-5-11(20)15(10)17(26)25-14-8-23-12(7-24-14)9-3-1-6-13-16(9)28-18(21,22)27-13;19-12-6-2-1-4-10(12)17(25)24-15-9-22-13(8-23-15)11-5-3-7-14-16(11)27-18(20,21)26-14/h3-11H,1-2H3,(H,24,25,26);1-8H,9H2,(H,24,25,26);2-9H,1H3,(H,25,26,27);2-10H,1H3,(H,23,24,25);1-8H,(H,24,25,26);1-9H,(H,23,24,25)
• InChIKey: FJDQLVKVYBSVNW-UHFFFAOYSA-N
• XLogP: 26.54
• TPSA: 419.83 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 29
• Rotatable Bonds: 18
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2397.80
LogP ≤ 5	26.54
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,2-difluoro-1,3-benzodioxole-4-carboxamide;N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]-3-methylpyridine-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylbenzamide?

The IUPAC name of N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,2-difluoro-1,3-benzodioxole-4-carboxamide;N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]-3-methylpyridine-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylbenzamide (CID 158048085) is N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,2-difluoro-1,3-benzodioxole-4-carboxamide;N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]-3-methylpyridine-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylbenzamide.

What is the SMILES notation for N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,2-difluoro-1,3-benzodioxole-4-carboxamide;N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]-3-methylpyridine-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylbenzamide?

The canonical SMILES for N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,2-difluoro-1,3-benzodioxole-4-carboxamide;N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]-3-methylpyridine-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylbenzamide is Cc1cc2c(cc1-c1ccc(NC(=O)c3c(F)cccc3F)nc1)OC(F)(F)O2.Cc1ccccc1C(=O)Nc1ccc(-c2cc3c(cc2C)OC(F)(F)O3)cn1.Cc1cccnc1C(=O)Nc1ccc(-c2cccc3c2OC(F)(F)O3)cn1.O=C(Nc1ccc(-c2cc3c(cc2Br)OCO3)cn1)c1cccc2c1OC(F)(F)O2.O=C(Nc1cnc(-c2cccc3c2OC(F)(F)O3)cn1)c1c(F)cccc1F.O=C(Nc1cnc(-c2cccc3c2OC(F)(F)O3)cn1)c1ccccc1F.

What is the InChIKey of N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,2-difluoro-1,3-benzodioxole-4-carboxamide;N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]-3-methylpyridine-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylbenzamide?

The InChIKey is FJDQLVKVYBSVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N2O3.C20H11BrF2N2O5.C20H12F4N2O3.C19H13F2N3O3.C18H9F4N3O3.C18H10F3N3O3/c1-12-5-3-4-6-15(12)20(26)25-19-8-7-14(11-24-19)16-10-18-17(9-13(16)2)27-21(22,23)28-18;21-13-7-16-15(27-9-28-16)6-12(13)10-4-5-17(24-8-10)25-19(26)11-2-1-3-14-18(11)30-20(22,23)29-14;1-10-7-15-16(29-20(23,24)28-15)8-12(10)11-5-6-17(25-9-11)26-19(27)18-13(21)3-2-4-14(18)22;1-11-4-3-9-22-16(11)18(25)24-15-8-7-12(10-23-15)13-5-2-6-14-17(13)27-19(20,21)26-14;19-10-4-2-5-11(20)15(10)17(26)25-14-8-23-12(7-24-14)9-3-1-6-13-16(9)28-18(21,22)27-13;19-12-6-2-1-4-10(12)17(25)24-15-9-22-13(8-23-15)11-5-3-7-14-16(11)27-18(20,21)26-14/h3-11H,1-2H3,(H,24,25,26);1-8H,9H2,(H,24,25,26);2-9H,1H3,(H,25,26,27);2-10H,1H3,(H,23,24,25);1-8H,(H,24,25,26);1-9H,(H,23,24,25).

What are the key properties of N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,2-difluoro-1,3-benzodioxole-4-carboxamide;N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]-3-methylpyridine-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylbenzamide?

N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,2-difluoro-1,3-benzodioxole-4-carboxamide;N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]-3-methylpyridine-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylbenzamide has a molecular weight of 2397.80 g/mol, XLogP of 26.54, 18 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,2-difluoro-1,3-benzodioxole-4-carboxamide;N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]-3-methylpyridine-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylbenzamide is sourced from PubChem (CID 158048085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).