N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;2-chloro-N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]benzamide;2-chloro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide;N-[5-(2,5-dimethyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,5-dimethyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2-fluorobenzamide;2-fluoro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide

C138H91Cl4F8N23O12S2 — CID 157115066

About N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;2-chloro-N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]benzamide;2-chloro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide;N-[5-(2,5-dimethyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,5-dimethyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2-fluorobenzamide;2-fluoro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide

N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;2-chloro-N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]benzamide;2-chloro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide;N-[5-(2,5-dimethyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,5-dimethyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2-fluorobenzamide;2-fluoro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide (PubChem CID 157115066) has the molecular formula C138H91Cl4F8N23O12S2 and a molecular weight of 2621.32 g/mol. Its IUPAC name is N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;2-chloro-N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]benzamide;2-chloro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide;N-[5-(2,5-dimethyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,5-dimethyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2-fluorobenzamide;2-fluoro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide.

Molecular Properties

• Compound Name: N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;2-chloro-N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]benzamide;2-chloro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide;N-[5-(2,5-dimethyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,5-dimethyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2-fluorobenzamide;2-fluoro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide
• PubChem CID: 157115066
• Molecular Formula: C138H91Cl4F8N23O12S2
• Molecular Weight: 2621.32 g/mol
• Exact Mass: 2617.53
• IUPAC Name: N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;2-chloro-N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]benzamide;2-chloro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide;N-[5-(2,5-dimethyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,5-dimethyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2-fluorobenzamide;2-fluoro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide
• SMILES: Cc1cc2ncoc2cc1-c1ccc(NC(=O)c2c(F)cccc2F)nc1.Cc1cc2ncoc2cc1-c1ccc(NC(=O)c2ccccc2Cl)nc1.Cc1cc2ncoc2cc1-c1ccc(NC(=O)c2ccccc2F)nc1.Cc1nc2cc(C)c(-c3ccc(NC(=O)c4c(F)cccc4F)nc3)cc2o1.Cc1nc2cc(C)c(-c3ccc(NC(=O)c4ccccc4F)nc3)cc2o1.O=C(Nc1ccc(-c2cc3nsnc3cc2Cl)cn1)c1c(F)cccc1F.O=C(Nc1ccc(-c2cc3nsnc3cc2Cl)cn1)c1ccccc1Cl
• InChI: InChI=1S/C21H15F2N3O2.C21H16FN3O2.C20H14ClN3O2.C20H13F2N3O2.C20H14FN3O2.C18H10Cl2N4OS.C18H9ClF2N4OS/c1-11-8-17-18(28-12(2)25-17)9-14(11)13-6-7-19(24-10-13)26-21(27)20-15(22)4-3-5-16(20)23;1-12-9-18-19(27-13(2)24-18)10-16(12)14-7-8-20(23-11-14)25-21(26)15-5-3-4-6-17(15)22;1-12-8-17-18(26-11-23-17)9-15(12)13-6-7-19(22-10-13)24-20(25)14-4-2-3-5-16(14)21;1-11-7-16-17(27-10-24-16)8-13(11)12-5-6-18(23-9-12)25-20(26)19-14(21)3-2-4-15(19)22;1-12-8-17-18(26-11-23-17)9-15(12)13-6-7-19(22-10-13)24-20(25)14-4-2-3-5-16(14)21;19-13-4-2-1-3-11(13)18(25)22-17-6-5-10(9-21-17)12-7-15-16(8-14(12)20)24-26-23-15;19-11-7-15-14(24-27-25-15)6-10(11)9-4-5-16(22-8-9)23-18(26)17-12(20)2-1-3-13(17)21/h3-10H,1-2H3,(H,24,26,27);3-11H,1-2H3,(H,23,25,26);2-11H,1H3,(H,22,24,25);2-10H,1H3,(H,23,25,26);2-11H,1H3,(H,22,24,25);1-9H,(H,21,22,25);1-8H,(H,22,23,26)
• InChIKey: AHHMLWHMEWNGLL-UHFFFAOYSA-N
• XLogP: 34.61
• TPSA: 475.64 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 30
• Rotatable Bonds: 21
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2621.32
LogP ≤ 5	34.61
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;2-chloro-N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]benzamide;2-chloro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide;N-[5-(2,5-dimethyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,5-dimethyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2-fluorobenzamide;2-fluoro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide?

The IUPAC name of N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;2-chloro-N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]benzamide;2-chloro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide;N-[5-(2,5-dimethyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,5-dimethyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2-fluorobenzamide;2-fluoro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide (CID 157115066) is N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;2-chloro-N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]benzamide;2-chloro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide;N-[5-(2,5-dimethyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,5-dimethyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2-fluorobenzamide;2-fluoro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide.

What is the SMILES notation for N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;2-chloro-N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]benzamide;2-chloro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide;N-[5-(2,5-dimethyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,5-dimethyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2-fluorobenzamide;2-fluoro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide?

The canonical SMILES for N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;2-chloro-N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]benzamide;2-chloro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide;N-[5-(2,5-dimethyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,5-dimethyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2-fluorobenzamide;2-fluoro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide is Cc1cc2ncoc2cc1-c1ccc(NC(=O)c2c(F)cccc2F)nc1.Cc1cc2ncoc2cc1-c1ccc(NC(=O)c2ccccc2Cl)nc1.Cc1cc2ncoc2cc1-c1ccc(NC(=O)c2ccccc2F)nc1.Cc1nc2cc(C)c(-c3ccc(NC(=O)c4c(F)cccc4F)nc3)cc2o1.Cc1nc2cc(C)c(-c3ccc(NC(=O)c4ccccc4F)nc3)cc2o1.O=C(Nc1ccc(-c2cc3nsnc3cc2Cl)cn1)c1c(F)cccc1F.O=C(Nc1ccc(-c2cc3nsnc3cc2Cl)cn1)c1ccccc1Cl.

What is the InChIKey of N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;2-chloro-N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]benzamide;2-chloro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide;N-[5-(2,5-dimethyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,5-dimethyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2-fluorobenzamide;2-fluoro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide?

The InChIKey is AHHMLWHMEWNGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N3O2.C21H16FN3O2.C20H14ClN3O2.C20H13F2N3O2.C20H14FN3O2.C18H10Cl2N4OS.C18H9ClF2N4OS/c1-11-8-17-18(28-12(2)25-17)9-14(11)13-6-7-19(24-10-13)26-21(27)20-15(22)4-3-5-16(20)23;1-12-9-18-19(27-13(2)24-18)10-16(12)14-7-8-20(23-11-14)25-21(26)15-5-3-4-6-17(15)22;1-12-8-17-18(26-11-23-17)9-15(12)13-6-7-19(22-10-13)24-20(25)14-4-2-3-5-16(14)21;1-11-7-16-17(27-10-24-16)8-13(11)12-5-6-18(23-9-12)25-20(26)19-14(21)3-2-4-15(19)22;1-12-8-17-18(26-11-23-17)9-15(12)13-6-7-19(22-10-13)24-20(25)14-4-2-3-5-16(14)21;19-13-4-2-1-3-11(13)18(25)22-17-6-5-10(9-21-17)12-7-15-16(8-14(12)20)24-26-23-15;19-11-7-15-14(24-27-25-15)6-10(11)9-4-5-16(22-8-9)23-18(26)17-12(20)2-1-3-13(17)21/h3-10H,1-2H3,(H,24,26,27);3-11H,1-2H3,(H,23,25,26);2-11H,1H3,(H,22,24,25);2-10H,1H3,(H,23,25,26);2-11H,1H3,(H,22,24,25);1-9H,(H,21,22,25);1-8H,(H,22,23,26).

What are the key properties of N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;2-chloro-N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]benzamide;2-chloro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide;N-[5-(2,5-dimethyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,5-dimethyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2-fluorobenzamide;2-fluoro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide?

N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;2-chloro-N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]benzamide;2-chloro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide;N-[5-(2,5-dimethyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,5-dimethyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2-fluorobenzamide;2-fluoro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide has a molecular weight of 2621.32 g/mol, XLogP of 34.61, 21 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;2-chloro-N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]benzamide;2-chloro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide;N-[5-(2,5-dimethyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,5-dimethyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2-fluorobenzamide;2-fluoro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide is sourced from PubChem (CID 157115066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).