N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methyl-5-phenylfuran-3-carboxamide;bis(N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-methyl-3H-pyrrole-5-carboxamide);N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methyl-5-phenylfuran-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-methyl-3H-pyrrole-5-carboxamide

C104H72Cl3F10N13O17 — CID 161475569

About N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methyl-5-phenylfuran-3-carboxamide;bis(N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-methyl-3H-pyrrole-5-carboxamide);N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methyl-5-phenylfuran-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-methyl-3H-pyrrole-5-carboxamide

N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methyl-5-phenylfuran-3-carboxamide;bis(N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-methyl-3H-pyrrole-5-carboxamide);N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methyl-5-phenylfuran-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-methyl-3H-pyrrole-5-carboxamide (PubChem CID 161475569) has the molecular formula C104H72Cl3F10N13O17 and a molecular weight of 2072.13 g/mol. Its IUPAC name is N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methyl-5-phenylfuran-3-carboxamide;bis(N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-methyl-3H-pyrrole-5-carboxamide);N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methyl-5-phenylfuran-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-methyl-3H-pyrrole-5-carboxamide.

Molecular Properties

• Compound Name: N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methyl-5-phenylfuran-3-carboxamide;bis(N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-methyl-3H-pyrrole-5-carboxamide);N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methyl-5-phenylfuran-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-methyl-3H-pyrrole-5-carboxamide
• PubChem CID: 161475569
• Molecular Formula: C104H72Cl3F10N13O17
• Molecular Weight: 2072.13 g/mol
• Exact Mass: 2069.41
• IUPAC Name: N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methyl-5-phenylfuran-3-carboxamide;bis(N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-methyl-3H-pyrrole-5-carboxamide);N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methyl-5-phenylfuran-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-methyl-3H-pyrrole-5-carboxamide
• SMILES: CC1=C(C(=O)Nc2ccc(-c3cc4c(cc3C)OC(F)(F)O4)cn2)N=CC1.CC1=C(C(=O)Nc2ccc(-c3cc4c(cc3Cl)OC(F)(F)O4)cn2)N=CC1.CC1=C(C(=O)Nc2ccc(-c3cc4c(cc3Cl)OC(F)(F)O4)cn2)N=CC1.Cc1cc2c(cc1-c1ccc(NC(=O)c3cc(-c4ccccc4)oc3C)nc1)OC(F)(F)O2.Cc1oc(-c2ccccc2)cc1C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1
• InChI: InChI=1S/C25H18F2N2O4.C24H15ClF2N2O4.C19H15F2N3O3.2C18H12ClF2N3O3/c1-14-10-21-22(33-25(26,27)32-21)11-18(14)17-8-9-23(28-13-17)29-24(30)19-12-20(31-15(19)2)16-6-4-3-5-7-16;1-13-16(9-19(31-13)14-5-3-2-4-6-14)23(30)29-22-8-7-15(12-28-22)17-10-20-21(11-18(17)25)33-24(26,27)32-20;1-10-5-6-22-17(10)18(25)24-16-4-3-12(9-23-16)13-8-15-14(7-11(13)2)26-19(20,21)27-15;2*1-9-4-5-22-16(9)17(25)24-15-3-2-10(8-23-15)11-6-13-14(7-12(11)19)27-18(20,21)26-13/h3-13H,1-2H3,(H,28,29,30);2-12H,1H3,(H,28,29,30);3-4,6-9H,5H2,1-2H3,(H,23,24,25);2*2-3,5-8H,4H2,1H3,(H,23,24,25)
• InChIKey: WDQXZWZNICWOGJ-UHFFFAOYSA-N
• XLogP: 25.63
• TPSA: 365.61 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 17
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2072.13
LogP ≤ 5	25.63
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methyl-5-phenylfuran-3-carboxamide;bis(N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-methyl-3H-pyrrole-5-carboxamide);N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methyl-5-phenylfuran-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-methyl-3H-pyrrole-5-carboxamide?

The IUPAC name of N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methyl-5-phenylfuran-3-carboxamide;bis(N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-methyl-3H-pyrrole-5-carboxamide);N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methyl-5-phenylfuran-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-methyl-3H-pyrrole-5-carboxamide (CID 161475569) is N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methyl-5-phenylfuran-3-carboxamide;bis(N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-methyl-3H-pyrrole-5-carboxamide);N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methyl-5-phenylfuran-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-methyl-3H-pyrrole-5-carboxamide.

What is the SMILES notation for N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methyl-5-phenylfuran-3-carboxamide;bis(N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-methyl-3H-pyrrole-5-carboxamide);N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methyl-5-phenylfuran-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-methyl-3H-pyrrole-5-carboxamide?

The canonical SMILES for N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methyl-5-phenylfuran-3-carboxamide;bis(N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-methyl-3H-pyrrole-5-carboxamide);N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methyl-5-phenylfuran-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-methyl-3H-pyrrole-5-carboxamide is CC1=C(C(=O)Nc2ccc(-c3cc4c(cc3C)OC(F)(F)O4)cn2)N=CC1.CC1=C(C(=O)Nc2ccc(-c3cc4c(cc3Cl)OC(F)(F)O4)cn2)N=CC1.CC1=C(C(=O)Nc2ccc(-c3cc4c(cc3Cl)OC(F)(F)O4)cn2)N=CC1.Cc1cc2c(cc1-c1ccc(NC(=O)c3cc(-c4ccccc4)oc3C)nc1)OC(F)(F)O2.Cc1oc(-c2ccccc2)cc1C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.

What is the InChIKey of N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methyl-5-phenylfuran-3-carboxamide;bis(N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-methyl-3H-pyrrole-5-carboxamide);N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methyl-5-phenylfuran-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-methyl-3H-pyrrole-5-carboxamide?

The InChIKey is WDQXZWZNICWOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F2N2O4.C24H15ClF2N2O4.C19H15F2N3O3.2C18H12ClF2N3O3/c1-14-10-21-22(33-25(26,27)32-21)11-18(14)17-8-9-23(28-13-17)29-24(30)19-12-20(31-15(19)2)16-6-4-3-5-7-16;1-13-16(9-19(31-13)14-5-3-2-4-6-14)23(30)29-22-8-7-15(12-28-22)17-10-20-21(11-18(17)25)33-24(26,27)32-20;1-10-5-6-22-17(10)18(25)24-16-4-3-12(9-23-16)13-8-15-14(7-11(13)2)26-19(20,21)27-15;2*1-9-4-5-22-16(9)17(25)24-15-3-2-10(8-23-15)11-6-13-14(7-12(11)19)27-18(20,21)26-13/h3-13H,1-2H3,(H,28,29,30);2-12H,1H3,(H,28,29,30);3-4,6-9H,5H2,1-2H3,(H,23,24,25);2*2-3,5-8H,4H2,1H3,(H,23,24,25).

What are the key properties of N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methyl-5-phenylfuran-3-carboxamide;bis(N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-methyl-3H-pyrrole-5-carboxamide);N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methyl-5-phenylfuran-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-methyl-3H-pyrrole-5-carboxamide?

N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methyl-5-phenylfuran-3-carboxamide;bis(N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-methyl-3H-pyrrole-5-carboxamide);N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methyl-5-phenylfuran-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-methyl-3H-pyrrole-5-carboxamide has a molecular weight of 2072.13 g/mol, XLogP of 25.63, 17 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methyl-5-phenylfuran-3-carboxamide;bis(N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-methyl-3H-pyrrole-5-carboxamide);N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methyl-5-phenylfuran-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-methyl-3H-pyrrole-5-carboxamide is sourced from PubChem (CID 161475569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).