2-chloro-N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)pyrazin-2-yl]benzamide;2-chloro-N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)-2-pyridinyl]benzamide;bis(N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide);bis(N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)-2-pyridinyl]-2,6-difluorobenzamide);2-fluoro-N-[5-(5-methylspiro[2.4]hept-5-en-6-yl)pyrazin-2-yl]benzamide

C142H101Cl2F21N18O13 — CID 158107810

About 2-chloro-N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)pyrazin-2-yl]benzamide;2-chloro-N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)-2-pyridinyl]benzamide;bis(N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide);bis(N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)-2-pyridinyl]-2,6-difluorobenzamide);2-fluoro-N-[5-(5-methylspiro[2.4]hept-5-en-6-yl)pyrazin-2-yl]benzamide

2-chloro-N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)pyrazin-2-yl]benzamide;2-chloro-N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)-2-pyridinyl]benzamide;bis(N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide);bis(N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)-2-pyridinyl]-2,6-difluorobenzamide);2-fluoro-N-[5-(5-methylspiro[2.4]hept-5-en-6-yl)pyrazin-2-yl]benzamide (PubChem CID 158107810) has the molecular formula C142H101Cl2F21N18O13 and a molecular weight of 2737.35 g/mol. Its IUPAC name is 2-chloro-N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)pyrazin-2-yl]benzamide;2-chloro-N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)-2-pyridinyl]benzamide;bis(N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide);bis(N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)-2-pyridinyl]-2,6-difluorobenzamide);2-fluoro-N-[5-(5-methylspiro[2.4]hept-5-en-6-yl)pyrazin-2-yl]benzamide.

Molecular Properties

• Compound Name: 2-chloro-N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)pyrazin-2-yl]benzamide;2-chloro-N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)-2-pyridinyl]benzamide;bis(N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide);bis(N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)-2-pyridinyl]-2,6-difluorobenzamide);2-fluoro-N-[5-(5-methylspiro[2.4]hept-5-en-6-yl)pyrazin-2-yl]benzamide
• PubChem CID: 158107810
• Molecular Formula: C142H101Cl2F21N18O13
• Molecular Weight: 2737.35 g/mol
• Exact Mass: 2734.68
• IUPAC Name: 2-chloro-N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)pyrazin-2-yl]benzamide;2-chloro-N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)-2-pyridinyl]benzamide;bis(N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide);bis(N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)-2-pyridinyl]-2,6-difluorobenzamide);2-fluoro-N-[5-(5-methylspiro[2.4]hept-5-en-6-yl)pyrazin-2-yl]benzamide
• SMILES: CC1=C(c2cnc(NC(=O)c3ccccc3F)cn2)CC2(CC2)C1.Cc1cc2c(cc1-c1ccc(NC(=O)c3c(F)cccc3F)nc1)CC(F)(F)O2.Cc1cc2c(cc1-c1ccc(NC(=O)c3c(F)cccc3F)nc1)CC(F)(F)O2.Cc1cc2c(cc1-c1ccc(NC(=O)c3ccccc3Cl)nc1)CC(F)(F)O2.Cc1cc2c(cc1-c1cnc(NC(=O)c3c(F)cccc3F)cn1)CC(F)(F)O2.Cc1cc2c(cc1-c1cnc(NC(=O)c3c(F)cccc3F)cn1)CC(F)(F)O2.Cc1cc2c(cc1-c1cnc(NC(=O)c3ccccc3Cl)cn1)CC(F)(F)O2
• InChI: InChI=1S/C21H15ClF2N2O2.2C21H14F4N2O2.C20H14ClF2N3O2.2C20H13F4N3O2.C19H18FN3O/c1-12-8-18-14(10-21(23,24)28-18)9-16(12)13-6-7-19(25-11-13)26-20(27)15-4-2-3-5-17(15)22;2*1-11-7-17-13(9-21(24,25)29-17)8-14(11)12-5-6-18(26-10-12)27-20(28)19-15(22)3-2-4-16(19)23;1-11-6-17-12(8-20(22,23)28-17)7-14(11)16-9-25-18(10-24-16)26-19(27)13-4-2-3-5-15(13)21;2*1-10-5-16-11(7-20(23,24)29-16)6-12(10)15-8-26-17(9-25-15)27-19(28)18-13(21)3-2-4-14(18)22;1-12-8-19(6-7-19)9-14(12)16-10-22-17(11-21-16)23-18(24)13-4-2-3-5-15(13)20/h2-9,11H,10H2,1H3,(H,25,26,27);2*2-8,10H,9H2,1H3,(H,26,27,28);2-7,9-10H,8H2,1H3,(H,25,26,27);2*2-6,8-9H,7H2,1H3,(H,26,27,28);2-5,10-11H,6-9H2,1H3,(H,22,23,24)
• InChIKey: FQBBMTZPSNVMJG-UHFFFAOYSA-N
• XLogP: 33.84
• TPSA: 400.87 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 24
• Rotatable Bonds: 21
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2737.35
LogP ≤ 5	33.84
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)pyrazin-2-yl]benzamide;2-chloro-N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)-2-pyridinyl]benzamide;bis(N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide);bis(N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)-2-pyridinyl]-2,6-difluorobenzamide);2-fluoro-N-[5-(5-methylspiro[2.4]hept-5-en-6-yl)pyrazin-2-yl]benzamide?

The IUPAC name of 2-chloro-N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)pyrazin-2-yl]benzamide;2-chloro-N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)-2-pyridinyl]benzamide;bis(N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide);bis(N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)-2-pyridinyl]-2,6-difluorobenzamide);2-fluoro-N-[5-(5-methylspiro[2.4]hept-5-en-6-yl)pyrazin-2-yl]benzamide (CID 158107810) is 2-chloro-N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)pyrazin-2-yl]benzamide;2-chloro-N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)-2-pyridinyl]benzamide;bis(N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide);bis(N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)-2-pyridinyl]-2,6-difluorobenzamide);2-fluoro-N-[5-(5-methylspiro[2.4]hept-5-en-6-yl)pyrazin-2-yl]benzamide.

What is the SMILES notation for 2-chloro-N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)pyrazin-2-yl]benzamide;2-chloro-N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)-2-pyridinyl]benzamide;bis(N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide);bis(N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)-2-pyridinyl]-2,6-difluorobenzamide);2-fluoro-N-[5-(5-methylspiro[2.4]hept-5-en-6-yl)pyrazin-2-yl]benzamide?

The canonical SMILES for 2-chloro-N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)pyrazin-2-yl]benzamide;2-chloro-N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)-2-pyridinyl]benzamide;bis(N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide);bis(N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)-2-pyridinyl]-2,6-difluorobenzamide);2-fluoro-N-[5-(5-methylspiro[2.4]hept-5-en-6-yl)pyrazin-2-yl]benzamide is CC1=C(c2cnc(NC(=O)c3ccccc3F)cn2)CC2(CC2)C1.Cc1cc2c(cc1-c1ccc(NC(=O)c3c(F)cccc3F)nc1)CC(F)(F)O2.Cc1cc2c(cc1-c1ccc(NC(=O)c3c(F)cccc3F)nc1)CC(F)(F)O2.Cc1cc2c(cc1-c1ccc(NC(=O)c3ccccc3Cl)nc1)CC(F)(F)O2.Cc1cc2c(cc1-c1cnc(NC(=O)c3c(F)cccc3F)cn1)CC(F)(F)O2.Cc1cc2c(cc1-c1cnc(NC(=O)c3c(F)cccc3F)cn1)CC(F)(F)O2.Cc1cc2c(cc1-c1cnc(NC(=O)c3ccccc3Cl)cn1)CC(F)(F)O2.

What is the InChIKey of 2-chloro-N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)pyrazin-2-yl]benzamide;2-chloro-N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)-2-pyridinyl]benzamide;bis(N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide);bis(N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)-2-pyridinyl]-2,6-difluorobenzamide);2-fluoro-N-[5-(5-methylspiro[2.4]hept-5-en-6-yl)pyrazin-2-yl]benzamide?

The InChIKey is FQBBMTZPSNVMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF2N2O2.2C21H14F4N2O2.C20H14ClF2N3O2.2C20H13F4N3O2.C19H18FN3O/c1-12-8-18-14(10-21(23,24)28-18)9-16(12)13-6-7-19(25-11-13)26-20(27)15-4-2-3-5-17(15)22;2*1-11-7-17-13(9-21(24,25)29-17)8-14(11)12-5-6-18(26-10-12)27-20(28)19-15(22)3-2-4-16(19)23;1-11-6-17-12(8-20(22,23)28-17)7-14(11)16-9-25-18(10-24-16)26-19(27)13-4-2-3-5-15(13)21;2*1-10-5-16-11(7-20(23,24)29-16)6-12(10)15-8-26-17(9-25-15)27-19(28)18-13(21)3-2-4-14(18)22;1-12-8-19(6-7-19)9-14(12)16-10-22-17(11-21-16)23-18(24)13-4-2-3-5-15(13)20/h2-9,11H,10H2,1H3,(H,25,26,27);2*2-8,10H,9H2,1H3,(H,26,27,28);2-7,9-10H,8H2,1H3,(H,25,26,27);2*2-6,8-9H,7H2,1H3,(H,26,27,28);2-5,10-11H,6-9H2,1H3,(H,22,23,24).

What are the key properties of 2-chloro-N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)pyrazin-2-yl]benzamide;2-chloro-N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)-2-pyridinyl]benzamide;bis(N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide);bis(N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)-2-pyridinyl]-2,6-difluorobenzamide);2-fluoro-N-[5-(5-methylspiro[2.4]hept-5-en-6-yl)pyrazin-2-yl]benzamide?

2-chloro-N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)pyrazin-2-yl]benzamide;2-chloro-N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)-2-pyridinyl]benzamide;bis(N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide);bis(N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)-2-pyridinyl]-2,6-difluorobenzamide);2-fluoro-N-[5-(5-methylspiro[2.4]hept-5-en-6-yl)pyrazin-2-yl]benzamide has a molecular weight of 2737.35 g/mol, XLogP of 33.84, 21 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)pyrazin-2-yl]benzamide;2-chloro-N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)-2-pyridinyl]benzamide;bis(N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide);bis(N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)-2-pyridinyl]-2,6-difluorobenzamide);2-fluoro-N-[5-(5-methylspiro[2.4]hept-5-en-6-yl)pyrazin-2-yl]benzamide is sourced from PubChem (CID 158107810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).