2-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]benzamide;2-chloro-N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]benzamide;N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]-2,6-difluorobenzamide;bis(N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]-2-fluorobenzamide);N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]-2-methylbenzamide

C114H66Cl3F16N13O18 — CID 157175169

About 2-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]benzamide;2-chloro-N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]benzamide;N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]-2,6-difluorobenzamide;bis(N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]-2-fluorobenzamide);N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]-2-methylbenzamide

2-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]benzamide;2-chloro-N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]benzamide;N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]-2,6-difluorobenzamide;bis(N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]-2-fluorobenzamide);N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]-2-methylbenzamide (PubChem CID 157175169) has the molecular formula C114H66Cl3F16N13O18 and a molecular weight of 2316.18 g/mol. Its IUPAC name is 2-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]benzamide;2-chloro-N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]benzamide;N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]-2,6-difluorobenzamide;bis(N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]-2-fluorobenzamide);N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]-2-methylbenzamide.

Molecular Properties

• Compound Name: 2-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]benzamide;2-chloro-N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]benzamide;N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]-2,6-difluorobenzamide;bis(N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]-2-fluorobenzamide);N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]-2-methylbenzamide
• PubChem CID: 157175169
• Molecular Formula: C114H66Cl3F16N13O18
• Molecular Weight: 2316.18 g/mol
• Exact Mass: 2313.35
• IUPAC Name: 2-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]benzamide;2-chloro-N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]benzamide;N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]-2,6-difluorobenzamide;bis(N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]-2-fluorobenzamide);N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]-2-methylbenzamide
• SMILES: Cc1ccccc1C(=O)Nc1ccc(-c2cccc3c2OC(F)(F)O3)cn1.O=C(Nc1ccc(-c2cccc3c2OC(F)(F)O3)cn1)c1c(F)cccc1F.O=C(Nc1ccc(-c2cccc3c2OC(F)(F)O3)cn1)c1ccccc1Cl.O=C(Nc1ccc(-c2cccc3c2OC(F)(F)O3)cn1)c1ccccc1F.O=C(Nc1ccc(-c2cccc3c2OC(F)(F)O3)cn1)c1ccccc1F.O=C(Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)c1ccccc1Cl
• InChI: InChI=1S/C20H14F2N2O3.C19H11ClF2N2O3.C19H10F4N2O3.2C19H11F3N2O3.C18H9Cl2F2N3O3/c1-12-5-2-3-6-14(12)19(25)24-17-10-9-13(11-23-17)15-7-4-8-16-18(15)27-20(21,22)26-16;20-14-6-2-1-4-13(14)18(25)24-16-9-8-11(10-23-16)12-5-3-7-15-17(12)27-19(21,22)26-15;20-12-4-2-5-13(21)16(12)18(26)25-15-8-7-10(9-24-15)11-3-1-6-14-17(11)28-19(22,23)27-14;2*20-14-6-2-1-4-13(14)18(25)24-16-9-8-11(10-23-16)12-5-3-7-15-17(12)27-19(21,22)26-15;19-11-4-2-1-3-9(11)17(26)25-16-8-23-13(7-24-16)10-5-14-15(6-12(10)20)28-18(21,22)27-14/h2-11H,1H3,(H,23,24,25);1-10H,(H,23,24,25);1-9H,(H,24,25,26);2*1-10H,(H,23,24,25);1-8H,(H,24,25,26)
• InChIKey: ANXQOXMGILHICB-UHFFFAOYSA-N
• XLogP: 28.15
• TPSA: 375.59 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 25
• Rotatable Bonds: 18
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2316.18
LogP ≤ 5	28.15
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]benzamide;2-chloro-N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]benzamide;N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]-2,6-difluorobenzamide;bis(N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]-2-fluorobenzamide);N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]-2-methylbenzamide?

The IUPAC name of 2-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]benzamide;2-chloro-N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]benzamide;N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]-2,6-difluorobenzamide;bis(N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]-2-fluorobenzamide);N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]-2-methylbenzamide (CID 157175169) is 2-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]benzamide;2-chloro-N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]benzamide;N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]-2,6-difluorobenzamide;bis(N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]-2-fluorobenzamide);N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]-2-methylbenzamide.

What is the SMILES notation for 2-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]benzamide;2-chloro-N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]benzamide;N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]-2,6-difluorobenzamide;bis(N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]-2-fluorobenzamide);N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]-2-methylbenzamide?

The canonical SMILES for 2-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]benzamide;2-chloro-N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]benzamide;N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]-2,6-difluorobenzamide;bis(N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]-2-fluorobenzamide);N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1ccc(-c2cccc3c2OC(F)(F)O3)cn1.O=C(Nc1ccc(-c2cccc3c2OC(F)(F)O3)cn1)c1c(F)cccc1F.O=C(Nc1ccc(-c2cccc3c2OC(F)(F)O3)cn1)c1ccccc1Cl.O=C(Nc1ccc(-c2cccc3c2OC(F)(F)O3)cn1)c1ccccc1F.O=C(Nc1ccc(-c2cccc3c2OC(F)(F)O3)cn1)c1ccccc1F.O=C(Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)c1ccccc1Cl.

What is the InChIKey of 2-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]benzamide;2-chloro-N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]benzamide;N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]-2,6-difluorobenzamide;bis(N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]-2-fluorobenzamide);N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]-2-methylbenzamide?

The InChIKey is ANXQOXMGILHICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N2O3.C19H11ClF2N2O3.C19H10F4N2O3.2C19H11F3N2O3.C18H9Cl2F2N3O3/c1-12-5-2-3-6-14(12)19(25)24-17-10-9-13(11-23-17)15-7-4-8-16-18(15)27-20(21,22)26-16;20-14-6-2-1-4-13(14)18(25)24-16-9-8-11(10-23-16)12-5-3-7-15-17(12)27-19(21,22)26-15;20-12-4-2-5-13(21)16(12)18(26)25-15-8-7-10(9-24-15)11-3-1-6-14-17(11)28-19(22,23)27-14;2*20-14-6-2-1-4-13(14)18(25)24-16-9-8-11(10-23-16)12-5-3-7-15-17(12)27-19(21,22)26-15;19-11-4-2-1-3-9(11)17(26)25-16-8-23-13(7-24-16)10-5-14-15(6-12(10)20)28-18(21,22)27-14/h2-11H,1H3,(H,23,24,25);1-10H,(H,23,24,25);1-9H,(H,24,25,26);2*1-10H,(H,23,24,25);1-8H,(H,24,25,26).

What are the key properties of 2-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]benzamide;2-chloro-N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]benzamide;N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]-2,6-difluorobenzamide;bis(N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]-2-fluorobenzamide);N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]-2-methylbenzamide?

2-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]benzamide;2-chloro-N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]benzamide;N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]-2,6-difluorobenzamide;bis(N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]-2-fluorobenzamide);N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]-2-methylbenzamide has a molecular weight of 2316.18 g/mol, XLogP of 28.15, 18 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]benzamide;2-chloro-N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]benzamide;N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]-2,6-difluorobenzamide;bis(N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]-2-fluorobenzamide);N-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-pyridinyl]-2-methylbenzamide is sourced from PubChem (CID 157175169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).