N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-methoxypyridine-3-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-pyrrolidin-1-ylbenzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(difluoromethoxy)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-fluorobenzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(2H-tetrazol-5-yl)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(trifluoromethoxy)benzamide

C101H64F18N20O21 — CID 157073931

About N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-methoxypyridine-3-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-pyrrolidin-1-ylbenzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(difluoromethoxy)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-fluorobenzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(2H-tetrazol-5-yl)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(trifluoromethoxy)benzamide

N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-methoxypyridine-3-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-pyrrolidin-1-ylbenzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(difluoromethoxy)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-fluorobenzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(2H-tetrazol-5-yl)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(trifluoromethoxy)benzamide (PubChem CID 157073931) has the molecular formula C101H64F18N20O21 and a molecular weight of 2235.71 g/mol. Its IUPAC name is N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-methoxypyridine-3-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-pyrrolidin-1-ylbenzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(difluoromethoxy)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-fluorobenzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(2H-tetrazol-5-yl)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(trifluoromethoxy)benzamide.

Molecular Properties

• Compound Name: N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-methoxypyridine-3-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-pyrrolidin-1-ylbenzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(difluoromethoxy)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-fluorobenzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(2H-tetrazol-5-yl)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(trifluoromethoxy)benzamide
• PubChem CID: 157073931
• Molecular Formula: C101H64F18N20O21
• Molecular Weight: 2235.71 g/mol
• Exact Mass: 2234.43
• IUPAC Name: N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-methoxypyridine-3-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-pyrrolidin-1-ylbenzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(difluoromethoxy)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-fluorobenzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(2H-tetrazol-5-yl)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(trifluoromethoxy)benzamide
• SMILES: COc1cncc(C(=O)Nc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1.O=C(NC1=Nc2cc3c(cc2C1)OC(F)(F)O3)c1ccc(F)cc1.O=C(NC1=Nc2cc3c(cc2C1)OC(F)(F)O3)c1cccc(-c2nn[nH]n2)c1.O=C(NC1=Nc2cc3c(cc2C1)OC(F)(F)O3)c1cccc(OC(F)(F)F)c1.O=C(NC1=Nc2cc3c(cc2C1)OC(F)(F)O3)c1cccc(OC(F)F)c1.O=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1cccc(N2CCCC2)c1
• InChI: InChI=1S/C19H16F2N4O3.C17H9F5N2O4.C17H10F4N2O4.C17H10F2N6O3.C16H9F3N2O3.C15H10F2N4O4/c20-19(21)27-15-9-13-14(10-16(15)28-19)23-18(22-13)24-17(26)11-4-3-5-12(8-11)25-6-1-2-7-25;18-16(19,20)26-10-3-1-2-8(4-10)15(25)24-14-6-9-5-12-13(7-11(9)23-14)28-17(21,22)27-12;18-16(19)25-10-3-1-2-8(4-10)15(24)23-14-6-9-5-12-13(7-11(9)22-14)27-17(20,21)26-12;18-17(19)27-12-5-10-6-14(20-11(10)7-13(12)28-17)21-16(26)9-3-1-2-8(4-9)15-22-24-25-23-15;17-10-3-1-8(2-4-10)15(22)21-14-6-9-5-12-13(7-11(9)20-14)24-16(18,19)23-12;1-23-8-2-7(5-18-6-8)13(22)21-14-19-9-3-11-12(4-10(9)20-14)25-15(16,17)24-11/h3-5,8-10H,1-2,6-7H2,(H2,22,23,24,26);1-5,7H,6H2,(H,23,24,25);1-5,7,16H,6H2,(H,22,23,24);1-5,7H,6H2,(H,20,21,26)(H,22,23,24,25);1-5,7H,6H2,(H,20,21,22);2-6H,1H3,(H2,19,20,21,22)
• InChIKey: ACTCXHQOTRXMBM-UHFFFAOYSA-N
• XLogP: 19.19
• TPSA: 490.44 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 32
• Rotatable Bonds: 14
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2235.71
LogP ≤ 5	19.19
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-methoxypyridine-3-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-pyrrolidin-1-ylbenzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(difluoromethoxy)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-fluorobenzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(2H-tetrazol-5-yl)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(trifluoromethoxy)benzamide?

The IUPAC name of N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-methoxypyridine-3-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-pyrrolidin-1-ylbenzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(difluoromethoxy)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-fluorobenzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(2H-tetrazol-5-yl)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(trifluoromethoxy)benzamide (CID 157073931) is N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-methoxypyridine-3-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-pyrrolidin-1-ylbenzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(difluoromethoxy)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-fluorobenzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(2H-tetrazol-5-yl)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(trifluoromethoxy)benzamide.

What is the SMILES notation for N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-methoxypyridine-3-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-pyrrolidin-1-ylbenzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(difluoromethoxy)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-fluorobenzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(2H-tetrazol-5-yl)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(trifluoromethoxy)benzamide?

The canonical SMILES for N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-methoxypyridine-3-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-pyrrolidin-1-ylbenzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(difluoromethoxy)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-fluorobenzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(2H-tetrazol-5-yl)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(trifluoromethoxy)benzamide is COc1cncc(C(=O)Nc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1.O=C(NC1=Nc2cc3c(cc2C1)OC(F)(F)O3)c1ccc(F)cc1.O=C(NC1=Nc2cc3c(cc2C1)OC(F)(F)O3)c1cccc(-c2nn[nH]n2)c1.O=C(NC1=Nc2cc3c(cc2C1)OC(F)(F)O3)c1cccc(OC(F)(F)F)c1.O=C(NC1=Nc2cc3c(cc2C1)OC(F)(F)O3)c1cccc(OC(F)F)c1.O=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1cccc(N2CCCC2)c1.

What is the InChIKey of N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-methoxypyridine-3-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-pyrrolidin-1-ylbenzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(difluoromethoxy)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-fluorobenzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(2H-tetrazol-5-yl)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(trifluoromethoxy)benzamide?

The InChIKey is ACTCXHQOTRXMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O3.C17H9F5N2O4.C17H10F4N2O4.C17H10F2N6O3.C16H9F3N2O3.C15H10F2N4O4/c20-19(21)27-15-9-13-14(10-16(15)28-19)23-18(22-13)24-17(26)11-4-3-5-12(8-11)25-6-1-2-7-25;18-16(19,20)26-10-3-1-2-8(4-10)15(25)24-14-6-9-5-12-13(7-11(9)23-14)28-17(21,22)27-12;18-16(19)25-10-3-1-2-8(4-10)15(24)23-14-6-9-5-12-13(7-11(9)22-14)27-17(20,21)26-12;18-17(19)27-12-5-10-6-14(20-11(10)7-13(12)28-17)21-16(26)9-3-1-2-8(4-9)15-22-24-25-23-15;17-10-3-1-8(2-4-10)15(22)21-14-6-9-5-12-13(7-11(9)20-14)24-16(18,19)23-12;1-23-8-2-7(5-18-6-8)13(22)21-14-19-9-3-11-12(4-10(9)20-14)25-15(16,17)24-11/h3-5,8-10H,1-2,6-7H2,(H2,22,23,24,26);1-5,7H,6H2,(H,23,24,25);1-5,7,16H,6H2,(H,22,23,24);1-5,7H,6H2,(H,20,21,26)(H,22,23,24,25);1-5,7H,6H2,(H,20,21,22);2-6H,1H3,(H2,19,20,21,22).

What are the key properties of N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-methoxypyridine-3-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-pyrrolidin-1-ylbenzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(difluoromethoxy)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-fluorobenzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(2H-tetrazol-5-yl)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(trifluoromethoxy)benzamide?

N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-methoxypyridine-3-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-pyrrolidin-1-ylbenzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(difluoromethoxy)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-fluorobenzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(2H-tetrazol-5-yl)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(trifluoromethoxy)benzamide has a molecular weight of 2235.71 g/mol, XLogP of 19.19, 14 rotatable bonds, 9 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-methoxypyridine-3-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-pyrrolidin-1-ylbenzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(difluoromethoxy)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-fluorobenzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(2H-tetrazol-5-yl)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(trifluoromethoxy)benzamide is sourced from PubChem (CID 157073931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).