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

C114H74Br6Cl2F5N15O18 — CID 159515633

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

N-[5-(6-bromo-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-chlorobenzamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-chloropyridine-2-carboxamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,5-difluorobenzamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluoro-4-methylbenzamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-fluoro-4-methylbenzamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methylpyridine-2-carboxamide (PubChem CID 159515633) has the molecular formula C114H74Br6Cl2F5N15O18 and a molecular weight of 2587.25 g/mol. Its IUPAC name is N-[5-(6-bromo-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-chlorobenzamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-chloropyridine-2-carboxamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,5-difluorobenzamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluoro-4-methylbenzamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-fluoro-4-methylbenzamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[5-(6-bromo-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-chlorobenzamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-chloropyridine-2-carboxamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,5-difluorobenzamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluoro-4-methylbenzamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-fluoro-4-methylbenzamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methylpyridine-2-carboxamide
• PubChem CID: 159515633
• Molecular Formula: C114H74Br6Cl2F5N15O18
• Molecular Weight: 2587.25 g/mol
• Exact Mass: 2578.97
• IUPAC Name: N-[5-(6-bromo-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-chlorobenzamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-chloropyridine-2-carboxamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,5-difluorobenzamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluoro-4-methylbenzamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-fluoro-4-methylbenzamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methylpyridine-2-carboxamide
• SMILES: Cc1cc(F)c(C(=O)Nc2ccc(-c3cc4c(cc3Br)OCO4)cn2)c(F)c1.Cc1ccc(C(=O)Nc2ccc(-c3cc4c(cc3Br)OCO4)cn2)c(F)c1.Cc1cccnc1C(=O)Nc1ccc(-c2cc3c(cc2Br)OCO3)cn1.O=C(Nc1ccc(-c2cc3c(cc2Br)OCO3)cn1)c1cc(F)ccc1F.O=C(Nc1ccc(-c2cc3c(cc2Br)OCO3)cn1)c1ncccc1Cl.O=C(Nc1cnc(-c2cc3c(cc2Br)OCO3)cn1)c1ccccc1Cl
• InChI: InChI=1S/C20H13BrF2N2O3.C20H14BrFN2O3.C19H11BrF2N2O3.C19H14BrN3O3.2C18H11BrClN3O3/c1-10-4-14(22)19(15(23)5-10)20(26)25-18-3-2-11(8-24-18)12-6-16-17(7-13(12)21)28-9-27-16;1-11-2-4-13(16(22)6-11)20(25)24-19-5-3-12(9-23-19)14-7-17-18(8-15(14)21)27-10-26-17;20-14-7-17-16(26-9-27-17)6-12(14)10-1-4-18(23-8-10)24-19(25)13-5-11(21)2-3-15(13)22;1-11-3-2-6-21-18(11)19(24)23-17-5-4-12(9-22-17)13-7-15-16(8-14(13)20)26-10-25-15;19-12-7-15-14(25-9-26-15)6-11(12)10-3-4-16(22-8-10)23-18(24)17-13(20)2-1-5-21-17;19-12-6-16-15(25-9-26-16)5-11(12)14-7-22-17(8-21-14)23-18(24)10-3-1-2-4-13(10)20/h2-8H,9H2,1H3,(H,24,25,26);2-9H,10H2,1H3,(H,23,24,25);1-8H,9H2,(H,23,24,25);2-9H,10H2,1H3,(H,22,23,24);2*1-8H,9H2,(H,22,23,24)
• InChIKey: MBDSQIYCEICXHT-UHFFFAOYSA-N
• XLogP: 28.07
• TPSA: 401.37 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 27
• Rotatable Bonds: 18
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2587.25
LogP ≤ 5	28.07
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

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

The IUPAC name of N-[5-(6-bromo-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-chlorobenzamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-chloropyridine-2-carboxamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,5-difluorobenzamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluoro-4-methylbenzamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-fluoro-4-methylbenzamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methylpyridine-2-carboxamide (CID 159515633) is N-[5-(6-bromo-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-chlorobenzamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-chloropyridine-2-carboxamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,5-difluorobenzamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluoro-4-methylbenzamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-fluoro-4-methylbenzamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methylpyridine-2-carboxamide.

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

The canonical SMILES for N-[5-(6-bromo-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-chlorobenzamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-chloropyridine-2-carboxamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,5-difluorobenzamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluoro-4-methylbenzamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-fluoro-4-methylbenzamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methylpyridine-2-carboxamide is Cc1cc(F)c(C(=O)Nc2ccc(-c3cc4c(cc3Br)OCO4)cn2)c(F)c1.Cc1ccc(C(=O)Nc2ccc(-c3cc4c(cc3Br)OCO4)cn2)c(F)c1.Cc1cccnc1C(=O)Nc1ccc(-c2cc3c(cc2Br)OCO3)cn1.O=C(Nc1ccc(-c2cc3c(cc2Br)OCO3)cn1)c1cc(F)ccc1F.O=C(Nc1ccc(-c2cc3c(cc2Br)OCO3)cn1)c1ncccc1Cl.O=C(Nc1cnc(-c2cc3c(cc2Br)OCO3)cn1)c1ccccc1Cl.

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

The InChIKey is MBDSQIYCEICXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13BrF2N2O3.C20H14BrFN2O3.C19H11BrF2N2O3.C19H14BrN3O3.2C18H11BrClN3O3/c1-10-4-14(22)19(15(23)5-10)20(26)25-18-3-2-11(8-24-18)12-6-16-17(7-13(12)21)28-9-27-16;1-11-2-4-13(16(22)6-11)20(25)24-19-5-3-12(9-23-19)14-7-17-18(8-15(14)21)27-10-26-17;20-14-7-17-16(26-9-27-17)6-12(14)10-1-4-18(23-8-10)24-19(25)13-5-11(21)2-3-15(13)22;1-11-3-2-6-21-18(11)19(24)23-17-5-4-12(9-22-17)13-7-15-16(8-14(13)20)26-10-25-15;19-12-7-15-14(25-9-26-15)6-11(12)10-3-4-16(22-8-10)23-18(24)17-13(20)2-1-5-21-17;19-12-6-16-15(25-9-26-16)5-11(12)14-7-22-17(8-21-14)23-18(24)10-3-1-2-4-13(10)20/h2-8H,9H2,1H3,(H,24,25,26);2-9H,10H2,1H3,(H,23,24,25);1-8H,9H2,(H,23,24,25);2-9H,10H2,1H3,(H,22,23,24);2*1-8H,9H2,(H,22,23,24).

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

N-[5-(6-bromo-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-chlorobenzamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-chloropyridine-2-carboxamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,5-difluorobenzamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluoro-4-methylbenzamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-fluoro-4-methylbenzamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methylpyridine-2-carboxamide has a molecular weight of 2587.25 g/mol, XLogP of 28.07, 18 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(6-bromo-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-chlorobenzamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-chloropyridine-2-carboxamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,5-difluorobenzamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluoro-4-methylbenzamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-fluoro-4-methylbenzamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 159515633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).