N-[5-(6-bromo-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-chlorobenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-hydroxybenzamide;2-chloro-N-[5-(6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide;2-fluoro-N-[5-(6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide

C116H77BrCl3F9N14O19 — CID 157276363

About N-[5-(6-bromo-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-chlorobenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-hydroxybenzamide;2-chloro-N-[5-(6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide;2-fluoro-N-[5-(6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide

N-[5-(6-bromo-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-chlorobenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-hydroxybenzamide;2-chloro-N-[5-(6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide;2-fluoro-N-[5-(6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide (PubChem CID 157276363) has the molecular formula C116H77BrCl3F9N14O19 and a molecular weight of 2328.22 g/mol. Its IUPAC name is N-[5-(6-bromo-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-chlorobenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-hydroxybenzamide;2-chloro-N-[5-(6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide;2-fluoro-N-[5-(6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide.

Molecular Properties

• Compound Name: N-[5-(6-bromo-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-chlorobenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-hydroxybenzamide;2-chloro-N-[5-(6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide;2-fluoro-N-[5-(6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide
• PubChem CID: 157276363
• Molecular Formula: C116H77BrCl3F9N14O19
• Molecular Weight: 2328.22 g/mol
• Exact Mass: 2324.36
• IUPAC Name: N-[5-(6-bromo-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-chlorobenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-hydroxybenzamide;2-chloro-N-[5-(6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide;2-fluoro-N-[5-(6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide
• SMILES: Cc1cc2c(cc1-c1ccc(NC(=O)c3c(F)cccc3F)nc1)OCO2.Cc1cc2c(cc1-c1ccc(NC(=O)c3ccccc3Cl)nc1)OCO2.Cc1cc2c(cc1-c1ccc(NC(=O)c3ccccc3F)nc1)OCO2.Cc1cc2c(cc1-c1cnc(NC(=O)c3c(F)cccc3F)cn1)OCO2.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)c1ccccc1O.O=C(Nc1cnc(-c2cc3c(cc2Br)OC(F)(F)O3)cn1)c1ccccc1Cl
• InChI: InChI=1S/C20H15ClN2O3.C20H14F2N2O3.C20H15FN2O3.C19H11ClF2N2O4.C19H13F2N3O3.C18H9BrClF2N3O3/c1-12-8-17-18(26-11-25-17)9-15(12)13-6-7-19(22-10-13)23-20(24)14-4-2-3-5-16(14)21;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;1-12-8-17-18(26-11-25-17)9-15(12)13-6-7-19(22-10-13)23-20(24)14-4-2-3-5-16(14)21;20-13-8-16-15(27-19(21,22)28-16)7-12(13)10-5-6-17(23-9-10)24-18(26)11-3-1-2-4-14(11)25;1-10-5-15-16(27-9-26-15)6-11(10)14-7-23-17(8-22-14)24-19(25)18-12(20)3-2-4-13(18)21;19-11-6-15-14(27-18(21,22)28-15)5-10(11)13-7-24-16(8-23-13)25-17(26)9-3-1-2-4-12(9)20/h2-10H,11H2,1H3,(H,22,23,24);2-9H,10H2,1H3,(H,23,24,25);2-10H,11H2,1H3,(H,22,23,24);1-9,25H,(H,23,24,26);2-8H,9H2,1H3,(H,23,24,25);1-8H,(H,24,25,26)
• InChIKey: AZDMXCOVTAACSY-UHFFFAOYSA-N
• XLogP: 26.71
• TPSA: 408.71 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 27
• Rotatable Bonds: 18
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2328.22
LogP ≤ 5	26.71
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of N-[5-(6-bromo-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-chlorobenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-hydroxybenzamide;2-chloro-N-[5-(6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide;2-fluoro-N-[5-(6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide?

The IUPAC name of N-[5-(6-bromo-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-chlorobenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-hydroxybenzamide;2-chloro-N-[5-(6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide;2-fluoro-N-[5-(6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide (CID 157276363) is N-[5-(6-bromo-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-chlorobenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-hydroxybenzamide;2-chloro-N-[5-(6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide;2-fluoro-N-[5-(6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide.

What is the SMILES notation for N-[5-(6-bromo-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-chlorobenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-hydroxybenzamide;2-chloro-N-[5-(6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide;2-fluoro-N-[5-(6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide?

The canonical SMILES for N-[5-(6-bromo-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-chlorobenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-hydroxybenzamide;2-chloro-N-[5-(6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide;2-fluoro-N-[5-(6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide is Cc1cc2c(cc1-c1ccc(NC(=O)c3c(F)cccc3F)nc1)OCO2.Cc1cc2c(cc1-c1ccc(NC(=O)c3ccccc3Cl)nc1)OCO2.Cc1cc2c(cc1-c1ccc(NC(=O)c3ccccc3F)nc1)OCO2.Cc1cc2c(cc1-c1cnc(NC(=O)c3c(F)cccc3F)cn1)OCO2.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)c1ccccc1O.O=C(Nc1cnc(-c2cc3c(cc2Br)OC(F)(F)O3)cn1)c1ccccc1Cl.

What is the InChIKey of N-[5-(6-bromo-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-chlorobenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-hydroxybenzamide;2-chloro-N-[5-(6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide;2-fluoro-N-[5-(6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide?

The InChIKey is AZDMXCOVTAACSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O3.C20H14F2N2O3.C20H15FN2O3.C19H11ClF2N2O4.C19H13F2N3O3.C18H9BrClF2N3O3/c1-12-8-17-18(26-11-25-17)9-15(12)13-6-7-19(22-10-13)23-20(24)14-4-2-3-5-16(14)21;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;1-12-8-17-18(26-11-25-17)9-15(12)13-6-7-19(22-10-13)23-20(24)14-4-2-3-5-16(14)21;20-13-8-16-15(27-19(21,22)28-16)7-12(13)10-5-6-17(23-9-10)24-18(26)11-3-1-2-4-14(11)25;1-10-5-15-16(27-9-26-15)6-11(10)14-7-23-17(8-22-14)24-19(25)18-12(20)3-2-4-13(18)21;19-11-6-15-14(27-18(21,22)28-15)5-10(11)13-7-24-16(8-23-13)25-17(26)9-3-1-2-4-12(9)20/h2-10H,11H2,1H3,(H,22,23,24);2-9H,10H2,1H3,(H,23,24,25);2-10H,11H2,1H3,(H,22,23,24);1-9,25H,(H,23,24,26);2-8H,9H2,1H3,(H,23,24,25);1-8H,(H,24,25,26).

What are the key properties of N-[5-(6-bromo-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-chlorobenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-hydroxybenzamide;2-chloro-N-[5-(6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide;2-fluoro-N-[5-(6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide?

N-[5-(6-bromo-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-chlorobenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-hydroxybenzamide;2-chloro-N-[5-(6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide;2-fluoro-N-[5-(6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide has a molecular weight of 2328.22 g/mol, XLogP of 26.71, 18 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(6-bromo-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-chlorobenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-hydroxybenzamide;2-chloro-N-[5-(6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide;2-fluoro-N-[5-(6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide is sourced from PubChem (CID 157276363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).