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

C79H51Cl3F11N11O12 — CID 159362391

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

N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluoro-3-methylbenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,3-dimethylbenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-5-fluoro-2-methylbenzamide;2,6-difluoro-N-[6-methyl-5-(6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide (PubChem CID 159362391) has the molecular formula C79H51Cl3F11N11O12 and a molecular weight of 1661.68 g/mol. Its IUPAC name is N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluoro-3-methylbenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,3-dimethylbenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-5-fluoro-2-methylbenzamide;2,6-difluoro-N-[6-methyl-5-(6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide.

Molecular Properties

• Compound Name: N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluoro-3-methylbenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,3-dimethylbenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-5-fluoro-2-methylbenzamide;2,6-difluoro-N-[6-methyl-5-(6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide
• PubChem CID: 159362391
• Molecular Formula: C79H51Cl3F11N11O12
• Molecular Weight: 1661.68 g/mol
• Exact Mass: 1659.26
• IUPAC Name: N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluoro-3-methylbenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,3-dimethylbenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-5-fluoro-2-methylbenzamide;2,6-difluoro-N-[6-methyl-5-(6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide
• SMILES: Cc1cc2c(cc1-c1ccc(NC(=O)c3c(F)cccc3F)nc1C)OCO2.Cc1ccc(F)c(C(=O)Nc2cnc(-c3cc4c(cc3Cl)OC(F)(F)O4)cn2)c1F.Cc1ccc(F)cc1C(=O)Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.Cc1cccc(C(=O)Nc2cnc(-c3cc4c(cc3Cl)OC(F)(F)O4)cn2)c1C
• InChI: InChI=1S/C21H16F2N2O3.C20H14ClF2N3O3.C19H10ClF4N3O3.C19H11ClF3N3O3/c1-11-8-17-18(28-10-27-17)9-14(11)13-6-7-19(24-12(13)2)25-21(26)20-15(22)4-3-5-16(20)23;1-10-4-3-5-12(11(10)2)19(27)26-18-9-24-15(8-25-18)13-6-16-17(7-14(13)21)29-20(22,23)28-16;1-8-2-3-11(21)16(17(8)22)18(28)27-15-7-25-12(6-26-15)9-4-13-14(5-10(9)20)30-19(23,24)29-13;1-9-2-3-10(21)4-11(9)18(27)26-17-8-24-14(7-25-17)12-5-15-16(6-13(12)20)29-19(22,23)28-15/h3-9H,10H2,1-2H3,(H,24,25,26);3-9H,1-2H3,(H,25,26,27);2-7H,1H3,(H,26,27,28);2-8H,1H3,(H,25,26,27)
• InChIKey: LIRWTIYZHKYYOH-UHFFFAOYSA-N
• XLogP: 19.39
• TPSA: 280.47 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Rotatable Bonds: 12
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1661.68
LogP ≤ 5	19.39
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

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

The IUPAC name of N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluoro-3-methylbenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,3-dimethylbenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-5-fluoro-2-methylbenzamide;2,6-difluoro-N-[6-methyl-5-(6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide (CID 159362391) is N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluoro-3-methylbenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,3-dimethylbenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-5-fluoro-2-methylbenzamide;2,6-difluoro-N-[6-methyl-5-(6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide.

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

The canonical SMILES for N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluoro-3-methylbenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,3-dimethylbenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-5-fluoro-2-methylbenzamide;2,6-difluoro-N-[6-methyl-5-(6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide is Cc1cc2c(cc1-c1ccc(NC(=O)c3c(F)cccc3F)nc1C)OCO2.Cc1ccc(F)c(C(=O)Nc2cnc(-c3cc4c(cc3Cl)OC(F)(F)O4)cn2)c1F.Cc1ccc(F)cc1C(=O)Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.Cc1cccc(C(=O)Nc2cnc(-c3cc4c(cc3Cl)OC(F)(F)O4)cn2)c1C.

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

The InChIKey is LIRWTIYZHKYYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N2O3.C20H14ClF2N3O3.C19H10ClF4N3O3.C19H11ClF3N3O3/c1-11-8-17-18(28-10-27-17)9-14(11)13-6-7-19(24-12(13)2)25-21(26)20-15(22)4-3-5-16(20)23;1-10-4-3-5-12(11(10)2)19(27)26-18-9-24-15(8-25-18)13-6-16-17(7-14(13)21)29-20(22,23)28-16;1-8-2-3-11(21)16(17(8)22)18(28)27-15-7-25-12(6-26-15)9-4-13-14(5-10(9)20)30-19(23,24)29-13;1-9-2-3-10(21)4-11(9)18(27)26-17-8-24-14(7-25-17)12-5-15-16(6-13(12)20)29-19(22,23)28-15/h3-9H,10H2,1-2H3,(H,24,25,26);3-9H,1-2H3,(H,25,26,27);2-7H,1H3,(H,26,27,28);2-8H,1H3,(H,25,26,27).

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

N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluoro-3-methylbenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,3-dimethylbenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-5-fluoro-2-methylbenzamide;2,6-difluoro-N-[6-methyl-5-(6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide has a molecular weight of 1661.68 g/mol, XLogP of 19.39, 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-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluoro-3-methylbenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,3-dimethylbenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-5-fluoro-2-methylbenzamide;2,6-difluoro-N-[6-methyl-5-(6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide is sourced from PubChem (CID 159362391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).