N-[5-(6-chloro-3,3-difluoro-2H-1,4-benzodioxin-7-yl)pyrazin-2-yl]-2,6-difluorobenzamide;2-chloro-N-[5-(2,2,3,3-tetrafluoro-7-methyl-1,4-benzodioxin-6-yl)pyrazin-2-yl]benzamide;2-chloro-N-[5-(2,2,3,3-tetrafluoro-7-methyl-1,4-benzodioxin-6-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(2,2,3,3-tetrafluoro-7-methyl-1,4-benzodioxin-6-yl)pyrazin-2-yl]benzamide

C80H46Cl3F18N11O12 — CID 158587058

About N-[5-(6-chloro-3,3-difluoro-2H-1,4-benzodioxin-7-yl)pyrazin-2-yl]-2,6-difluorobenzamide;2-chloro-N-[5-(2,2,3,3-tetrafluoro-7-methyl-1,4-benzodioxin-6-yl)pyrazin-2-yl]benzamide;2-chloro-N-[5-(2,2,3,3-tetrafluoro-7-methyl-1,4-benzodioxin-6-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(2,2,3,3-tetrafluoro-7-methyl-1,4-benzodioxin-6-yl)pyrazin-2-yl]benzamide

N-[5-(6-chloro-3,3-difluoro-2H-1,4-benzodioxin-7-yl)pyrazin-2-yl]-2,6-difluorobenzamide;2-chloro-N-[5-(2,2,3,3-tetrafluoro-7-methyl-1,4-benzodioxin-6-yl)pyrazin-2-yl]benzamide;2-chloro-N-[5-(2,2,3,3-tetrafluoro-7-methyl-1,4-benzodioxin-6-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(2,2,3,3-tetrafluoro-7-methyl-1,4-benzodioxin-6-yl)pyrazin-2-yl]benzamide (PubChem CID 158587058) has the molecular formula C80H46Cl3F18N11O12 and a molecular weight of 1801.64 g/mol. Its IUPAC name is N-[5-(6-chloro-3,3-difluoro-2H-1,4-benzodioxin-7-yl)pyrazin-2-yl]-2,6-difluorobenzamide;2-chloro-N-[5-(2,2,3,3-tetrafluoro-7-methyl-1,4-benzodioxin-6-yl)pyrazin-2-yl]benzamide;2-chloro-N-[5-(2,2,3,3-tetrafluoro-7-methyl-1,4-benzodioxin-6-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(2,2,3,3-tetrafluoro-7-methyl-1,4-benzodioxin-6-yl)pyrazin-2-yl]benzamide.

Molecular Properties

• Compound Name: N-[5-(6-chloro-3,3-difluoro-2H-1,4-benzodioxin-7-yl)pyrazin-2-yl]-2,6-difluorobenzamide;2-chloro-N-[5-(2,2,3,3-tetrafluoro-7-methyl-1,4-benzodioxin-6-yl)pyrazin-2-yl]benzamide;2-chloro-N-[5-(2,2,3,3-tetrafluoro-7-methyl-1,4-benzodioxin-6-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(2,2,3,3-tetrafluoro-7-methyl-1,4-benzodioxin-6-yl)pyrazin-2-yl]benzamide
• PubChem CID: 158587058
• Molecular Formula: C80H46Cl3F18N11O12
• Molecular Weight: 1801.64 g/mol
• Exact Mass: 1799.21
• IUPAC Name: N-[5-(6-chloro-3,3-difluoro-2H-1,4-benzodioxin-7-yl)pyrazin-2-yl]-2,6-difluorobenzamide;2-chloro-N-[5-(2,2,3,3-tetrafluoro-7-methyl-1,4-benzodioxin-6-yl)pyrazin-2-yl]benzamide;2-chloro-N-[5-(2,2,3,3-tetrafluoro-7-methyl-1,4-benzodioxin-6-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(2,2,3,3-tetrafluoro-7-methyl-1,4-benzodioxin-6-yl)pyrazin-2-yl]benzamide
• SMILES: Cc1cc2c(cc1-c1ccc(NC(=O)c3ccccc3Cl)nc1)OC(F)(F)C(F)(F)O2.Cc1cc2c(cc1-c1cnc(NC(=O)c3c(F)cccc3F)cn1)OC(F)(F)C(F)(F)O2.Cc1cc2c(cc1-c1cnc(NC(=O)c3ccccc3Cl)cn1)OC(F)(F)C(F)(F)O2.O=C(Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)CO3)cn1)c1c(F)cccc1F
• InChI: InChI=1S/C21H13ClF4N2O3.C20H12ClF4N3O3.C20H11F6N3O3.C19H10ClF4N3O3/c1-11-8-16-17(31-21(25,26)20(23,24)30-16)9-14(11)12-6-7-18(27-10-12)28-19(29)13-4-2-3-5-15(13)22;1-10-6-15-16(31-20(24,25)19(22,23)30-15)7-12(10)14-8-27-17(9-26-14)28-18(29)11-4-2-3-5-13(11)21;1-9-5-14-15(32-20(25,26)19(23,24)31-14)6-10(9)13-7-28-16(8-27-13)29-18(30)17-11(21)3-2-4-12(17)22;20-10-5-15-14(29-8-19(23,24)30-15)4-9(10)13-6-26-16(7-25-13)27-18(28)17-11(21)2-1-3-12(17)22/h2-10H,1H3,(H,27,28,29);2-9H,1H3,(H,27,28,29);2-8H,1H3,(H,28,29,30);1-7H,8H2,(H,26,27,28)
• InChIKey: HTYOGIGGFYDQKV-UHFFFAOYSA-N
• XLogP: 20.86
• TPSA: 280.47 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Rotatable Bonds: 12
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1801.64
LogP ≤ 5	20.86
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-(6-chloro-3,3-difluoro-2H-1,4-benzodioxin-7-yl)pyrazin-2-yl]-2,6-difluorobenzamide;2-chloro-N-[5-(2,2,3,3-tetrafluoro-7-methyl-1,4-benzodioxin-6-yl)pyrazin-2-yl]benzamide;2-chloro-N-[5-(2,2,3,3-tetrafluoro-7-methyl-1,4-benzodioxin-6-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(2,2,3,3-tetrafluoro-7-methyl-1,4-benzodioxin-6-yl)pyrazin-2-yl]benzamide?

The IUPAC name of N-[5-(6-chloro-3,3-difluoro-2H-1,4-benzodioxin-7-yl)pyrazin-2-yl]-2,6-difluorobenzamide;2-chloro-N-[5-(2,2,3,3-tetrafluoro-7-methyl-1,4-benzodioxin-6-yl)pyrazin-2-yl]benzamide;2-chloro-N-[5-(2,2,3,3-tetrafluoro-7-methyl-1,4-benzodioxin-6-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(2,2,3,3-tetrafluoro-7-methyl-1,4-benzodioxin-6-yl)pyrazin-2-yl]benzamide (CID 158587058) is N-[5-(6-chloro-3,3-difluoro-2H-1,4-benzodioxin-7-yl)pyrazin-2-yl]-2,6-difluorobenzamide;2-chloro-N-[5-(2,2,3,3-tetrafluoro-7-methyl-1,4-benzodioxin-6-yl)pyrazin-2-yl]benzamide;2-chloro-N-[5-(2,2,3,3-tetrafluoro-7-methyl-1,4-benzodioxin-6-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(2,2,3,3-tetrafluoro-7-methyl-1,4-benzodioxin-6-yl)pyrazin-2-yl]benzamide.

What is the SMILES notation for N-[5-(6-chloro-3,3-difluoro-2H-1,4-benzodioxin-7-yl)pyrazin-2-yl]-2,6-difluorobenzamide;2-chloro-N-[5-(2,2,3,3-tetrafluoro-7-methyl-1,4-benzodioxin-6-yl)pyrazin-2-yl]benzamide;2-chloro-N-[5-(2,2,3,3-tetrafluoro-7-methyl-1,4-benzodioxin-6-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(2,2,3,3-tetrafluoro-7-methyl-1,4-benzodioxin-6-yl)pyrazin-2-yl]benzamide?

The canonical SMILES for N-[5-(6-chloro-3,3-difluoro-2H-1,4-benzodioxin-7-yl)pyrazin-2-yl]-2,6-difluorobenzamide;2-chloro-N-[5-(2,2,3,3-tetrafluoro-7-methyl-1,4-benzodioxin-6-yl)pyrazin-2-yl]benzamide;2-chloro-N-[5-(2,2,3,3-tetrafluoro-7-methyl-1,4-benzodioxin-6-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(2,2,3,3-tetrafluoro-7-methyl-1,4-benzodioxin-6-yl)pyrazin-2-yl]benzamide is Cc1cc2c(cc1-c1ccc(NC(=O)c3ccccc3Cl)nc1)OC(F)(F)C(F)(F)O2.Cc1cc2c(cc1-c1cnc(NC(=O)c3c(F)cccc3F)cn1)OC(F)(F)C(F)(F)O2.Cc1cc2c(cc1-c1cnc(NC(=O)c3ccccc3Cl)cn1)OC(F)(F)C(F)(F)O2.O=C(Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)CO3)cn1)c1c(F)cccc1F.

What is the InChIKey of N-[5-(6-chloro-3,3-difluoro-2H-1,4-benzodioxin-7-yl)pyrazin-2-yl]-2,6-difluorobenzamide;2-chloro-N-[5-(2,2,3,3-tetrafluoro-7-methyl-1,4-benzodioxin-6-yl)pyrazin-2-yl]benzamide;2-chloro-N-[5-(2,2,3,3-tetrafluoro-7-methyl-1,4-benzodioxin-6-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(2,2,3,3-tetrafluoro-7-methyl-1,4-benzodioxin-6-yl)pyrazin-2-yl]benzamide?

The InChIKey is HTYOGIGGFYDQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClF4N2O3.C20H12ClF4N3O3.C20H11F6N3O3.C19H10ClF4N3O3/c1-11-8-16-17(31-21(25,26)20(23,24)30-16)9-14(11)12-6-7-18(27-10-12)28-19(29)13-4-2-3-5-15(13)22;1-10-6-15-16(31-20(24,25)19(22,23)30-15)7-12(10)14-8-27-17(9-26-14)28-18(29)11-4-2-3-5-13(11)21;1-9-5-14-15(32-20(25,26)19(23,24)31-14)6-10(9)13-7-28-16(8-27-13)29-18(30)17-11(21)3-2-4-12(17)22;20-10-5-15-14(29-8-19(23,24)30-15)4-9(10)13-6-26-16(7-25-13)27-18(28)17-11(21)2-1-3-12(17)22/h2-10H,1H3,(H,27,28,29);2-9H,1H3,(H,27,28,29);2-8H,1H3,(H,28,29,30);1-7H,8H2,(H,26,27,28).

What are the key properties of N-[5-(6-chloro-3,3-difluoro-2H-1,4-benzodioxin-7-yl)pyrazin-2-yl]-2,6-difluorobenzamide;2-chloro-N-[5-(2,2,3,3-tetrafluoro-7-methyl-1,4-benzodioxin-6-yl)pyrazin-2-yl]benzamide;2-chloro-N-[5-(2,2,3,3-tetrafluoro-7-methyl-1,4-benzodioxin-6-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(2,2,3,3-tetrafluoro-7-methyl-1,4-benzodioxin-6-yl)pyrazin-2-yl]benzamide?

N-[5-(6-chloro-3,3-difluoro-2H-1,4-benzodioxin-7-yl)pyrazin-2-yl]-2,6-difluorobenzamide;2-chloro-N-[5-(2,2,3,3-tetrafluoro-7-methyl-1,4-benzodioxin-6-yl)pyrazin-2-yl]benzamide;2-chloro-N-[5-(2,2,3,3-tetrafluoro-7-methyl-1,4-benzodioxin-6-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(2,2,3,3-tetrafluoro-7-methyl-1,4-benzodioxin-6-yl)pyrazin-2-yl]benzamide has a molecular weight of 1801.64 g/mol, XLogP of 20.86, 12 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(6-chloro-3,3-difluoro-2H-1,4-benzodioxin-7-yl)pyrazin-2-yl]-2,6-difluorobenzamide;2-chloro-N-[5-(2,2,3,3-tetrafluoro-7-methyl-1,4-benzodioxin-6-yl)pyrazin-2-yl]benzamide;2-chloro-N-[5-(2,2,3,3-tetrafluoro-7-methyl-1,4-benzodioxin-6-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(2,2,3,3-tetrafluoro-7-methyl-1,4-benzodioxin-6-yl)pyrazin-2-yl]benzamide is sourced from PubChem (CID 158587058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).