N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,2-difluoro-1,3-benzodioxole-4-carboxamide;(2-chlorophenyl)methyl N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]carbamate;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-methylpyrazine-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide

C114H68Br2ClF15N16O21 — CID 159545919

About N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,2-difluoro-1,3-benzodioxole-4-carboxamide;(2-chlorophenyl)methyl N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]carbamate;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-methylpyrazine-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide

N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,2-difluoro-1,3-benzodioxole-4-carboxamide;(2-chlorophenyl)methyl N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]carbamate;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-methylpyrazine-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide (PubChem CID 159545919) has the molecular formula C114H68Br2ClF15N16O21 and a molecular weight of 2478.12 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;(2-chlorophenyl)methyl N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]carbamate;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-methylpyrazine-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide.

Molecular Properties

• Compound Name: N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,2-difluoro-1,3-benzodioxole-4-carboxamide;(2-chlorophenyl)methyl N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]carbamate;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-methylpyrazine-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide
• PubChem CID: 159545919
• Molecular Formula: C114H68Br2ClF15N16O21
• Molecular Weight: 2478.12 g/mol
• Exact Mass: 2474.26
• IUPAC Name: N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,2-difluoro-1,3-benzodioxole-4-carboxamide;(2-chlorophenyl)methyl N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]carbamate;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-methylpyrazine-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide
• SMILES: Cc1cc2c(cc1-c1ccc(NC(=O)c3c(F)cccc3F)nc1)OC(F)(F)O2.Cc1nccnc1C(=O)Nc1ccc(-c2cccc3c2OC(F)(F)O3)cn1.O=C(Nc1ccc(-c2cc3c(cc2Br)OCO3)cn1)OCc1ccccc1Cl.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/C20H14BrClN2O4.C20H11BrF2N2O5.C20H12F4N2O3.C18H9F4N3O3.C18H10F3N3O3.C18H12F2N4O3/c21-15-8-18-17(27-11-28-18)7-14(15)12-5-6-19(23-9-12)24-20(25)26-10-13-3-1-2-4-16(13)22;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;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;1-10-15(22-8-7-21-10)17(25)24-14-6-5-11(9-23-14)12-3-2-4-13-16(12)27-18(19,20)26-13/h1-9H,10-11H2,(H,23,24,25);1-8H,9H2,(H,24,25,26);2-9H,1H3,(H,25,26,27);1-8H,(H,24,25,26);1-9H,(H,23,24,25);2-9H,1H3,(H,23,24,25)
• InChIKey: MEUJKOPQZIPRJO-UHFFFAOYSA-N
• XLogP: 26.64
• TPSA: 441.95 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 31
• Rotatable Bonds: 19
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2478.12
LogP ≤ 5	26.64
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	31

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;(2-chlorophenyl)methyl N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]carbamate;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-methylpyrazine-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide?

The IUPAC name of N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,2-difluoro-1,3-benzodioxole-4-carboxamide;(2-chlorophenyl)methyl N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]carbamate;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-methylpyrazine-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide (CID 159545919) is N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,2-difluoro-1,3-benzodioxole-4-carboxamide;(2-chlorophenyl)methyl N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]carbamate;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-methylpyrazine-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide.

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;(2-chlorophenyl)methyl N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]carbamate;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-methylpyrazine-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide?

The canonical SMILES for N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,2-difluoro-1,3-benzodioxole-4-carboxamide;(2-chlorophenyl)methyl N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]carbamate;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-methylpyrazine-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide is Cc1cc2c(cc1-c1ccc(NC(=O)c3c(F)cccc3F)nc1)OC(F)(F)O2.Cc1nccnc1C(=O)Nc1ccc(-c2cccc3c2OC(F)(F)O3)cn1.O=C(Nc1ccc(-c2cc3c(cc2Br)OCO3)cn1)OCc1ccccc1Cl.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;(2-chlorophenyl)methyl N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]carbamate;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-methylpyrazine-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide?

The InChIKey is MEUJKOPQZIPRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrClN2O4.C20H11BrF2N2O5.C20H12F4N2O3.C18H9F4N3O3.C18H10F3N3O3.C18H12F2N4O3/c21-15-8-18-17(27-11-28-18)7-14(15)12-5-6-19(23-9-12)24-20(25)26-10-13-3-1-2-4-16(13)22;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;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;1-10-15(22-8-7-21-10)17(25)24-14-6-5-11(9-23-14)12-3-2-4-13-16(12)27-18(19,20)26-13/h1-9H,10-11H2,(H,23,24,25);1-8H,9H2,(H,24,25,26);2-9H,1H3,(H,25,26,27);1-8H,(H,24,25,26);1-9H,(H,23,24,25);2-9H,1H3,(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;(2-chlorophenyl)methyl N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]carbamate;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-methylpyrazine-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide?

N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,2-difluoro-1,3-benzodioxole-4-carboxamide;(2-chlorophenyl)methyl N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]carbamate;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-methylpyrazine-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide has a molecular weight of 2478.12 g/mol, XLogP of 26.64, 19 rotatable bonds, 6 hydrogen bond donors, and 31 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;(2-chlorophenyl)methyl N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]carbamate;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-methylpyrazine-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide is sourced from PubChem (CID 159545919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).