3-[(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)carbamoyl]benzoic acid;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-1-methylpyrrole-2-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-phenylbenzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-(tetrazol-1-yl)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-thiophen-2-ylpyridine-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide

C109H65F15N20O21S2 — CID 160748521

About 3-[(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)carbamoyl]benzoic acid;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-1-methylpyrrole-2-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-phenylbenzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-(tetrazol-1-yl)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-thiophen-2-ylpyridine-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide

3-[(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)carbamoyl]benzoic acid;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-1-methylpyrrole-2-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-phenylbenzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-(tetrazol-1-yl)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-thiophen-2-ylpyridine-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 160748521) has the molecular formula C109H65F15N20O21S2 and a molecular weight of 2339.94 g/mol. Its IUPAC name is 3-[(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)carbamoyl]benzoic acid;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-1-methylpyrrole-2-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-phenylbenzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-(tetrazol-1-yl)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-thiophen-2-ylpyridine-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 3-[(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)carbamoyl]benzoic acid;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-1-methylpyrrole-2-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-phenylbenzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-(tetrazol-1-yl)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-thiophen-2-ylpyridine-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide
• PubChem CID: 160748521
• Molecular Formula: C109H65F15N20O21S2
• Molecular Weight: 2339.94 g/mol
• Exact Mass: 2338.38
• IUPAC Name: 3-[(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)carbamoyl]benzoic acid;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-1-methylpyrrole-2-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-phenylbenzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-(tetrazol-1-yl)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-thiophen-2-ylpyridine-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide
• SMILES: Cn1cccc1C(=O)NC1=Nc2cc3c(cc2C1)OC(F)(F)O3.O=C(NC1=Nc2cc3c(cc2C1)OC(F)(F)O3)c1ccc(-c2ccccc2)cc1.O=C(NC1=Nc2cc3c(cc2C1)OC(F)(F)O3)c1ccc(-n2cnnn2)cc1.O=C(NC1=Nc2cc3c(cc2C1)OC(F)(F)O3)c1cncc(-c2cccs2)c1.O=C(NC1=Nc2cc3c(cc2C1)OC(F)(F)O3)c1csc(-c2cccc(OC(F)(F)F)c2)n1.O=C(O)c1cccc(C(=O)Nc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1
• InChI: InChI=1S/C22H14F2N2O3.C20H10F5N3O4S.C19H11F2N3O3S.C17H10F2N6O3.C16H9F2N3O5.C15H11F2N3O3/c23-22(24)28-18-10-16-11-20(25-17(16)12-19(18)29-22)26-21(27)15-8-6-14(7-9-15)13-4-2-1-3-5-13;21-19(22,23)30-11-3-1-2-9(4-11)18-27-13(8-33-18)17(29)28-16-6-10-5-14-15(7-12(10)26-16)32-20(24,25)31-14;20-19(21)26-14-5-10-6-17(23-13(10)7-15(14)27-19)24-18(25)12-4-11(8-22-9-12)16-2-1-3-28-16;18-17(19)27-13-5-10-6-15(21-12(10)7-14(13)28-17)22-16(26)9-1-3-11(4-2-9)25-8-20-23-24-25;17-16(18)25-11-5-9-10(6-12(11)26-16)20-15(19-9)21-13(22)7-2-1-3-8(4-7)14(23)24;1-20-4-2-3-10(20)14(21)19-13-6-8-5-11-12(7-9(8)18-13)23-15(16,17)22-11/h1-10,12H,11H2,(H,25,26,27);1-5,7-8H,6H2,(H,26,28,29);1-5,7-9H,6H2,(H,23,24,25);1-5,7-8H,6H2,(H,21,22,26);1-6H,(H,23,24)(H2,19,20,21,22);2-5,7H,6H2,1H3,(H,18,19,21)
• InChIKey: RWMVSCBRKUEJEE-UHFFFAOYSA-N
• XLogP: 21.08
• TPSA: 496.68 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 35
• Rotatable Bonds: 13
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2339.94
LogP ≤ 5	21.08
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)carbamoyl]benzoic acid;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-1-methylpyrrole-2-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-phenylbenzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-(tetrazol-1-yl)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-thiophen-2-ylpyridine-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide?

The IUPAC name of 3-[(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)carbamoyl]benzoic acid;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-1-methylpyrrole-2-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-phenylbenzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-(tetrazol-1-yl)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-thiophen-2-ylpyridine-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide (CID 160748521) is 3-[(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)carbamoyl]benzoic acid;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-1-methylpyrrole-2-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-phenylbenzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-(tetrazol-1-yl)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-thiophen-2-ylpyridine-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 3-[(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)carbamoyl]benzoic acid;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-1-methylpyrrole-2-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-phenylbenzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-(tetrazol-1-yl)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-thiophen-2-ylpyridine-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide?

The canonical SMILES for 3-[(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)carbamoyl]benzoic acid;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-1-methylpyrrole-2-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-phenylbenzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-(tetrazol-1-yl)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-thiophen-2-ylpyridine-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide is Cn1cccc1C(=O)NC1=Nc2cc3c(cc2C1)OC(F)(F)O3.O=C(NC1=Nc2cc3c(cc2C1)OC(F)(F)O3)c1ccc(-c2ccccc2)cc1.O=C(NC1=Nc2cc3c(cc2C1)OC(F)(F)O3)c1ccc(-n2cnnn2)cc1.O=C(NC1=Nc2cc3c(cc2C1)OC(F)(F)O3)c1cncc(-c2cccs2)c1.O=C(NC1=Nc2cc3c(cc2C1)OC(F)(F)O3)c1csc(-c2cccc(OC(F)(F)F)c2)n1.O=C(O)c1cccc(C(=O)Nc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1.

What is the InChIKey of 3-[(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)carbamoyl]benzoic acid;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-1-methylpyrrole-2-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-phenylbenzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-(tetrazol-1-yl)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-thiophen-2-ylpyridine-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide?

The InChIKey is RWMVSCBRKUEJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F2N2O3.C20H10F5N3O4S.C19H11F2N3O3S.C17H10F2N6O3.C16H9F2N3O5.C15H11F2N3O3/c23-22(24)28-18-10-16-11-20(25-17(16)12-19(18)29-22)26-21(27)15-8-6-14(7-9-15)13-4-2-1-3-5-13;21-19(22,23)30-11-3-1-2-9(4-11)18-27-13(8-33-18)17(29)28-16-6-10-5-14-15(7-12(10)26-16)32-20(24,25)31-14;20-19(21)26-14-5-10-6-17(23-13(10)7-15(14)27-19)24-18(25)12-4-11(8-22-9-12)16-2-1-3-28-16;18-17(19)27-13-5-10-6-15(21-12(10)7-14(13)28-17)22-16(26)9-1-3-11(4-2-9)25-8-20-23-24-25;17-16(18)25-11-5-9-10(6-12(11)26-16)20-15(19-9)21-13(22)7-2-1-3-8(4-7)14(23)24;1-20-4-2-3-10(20)14(21)19-13-6-8-5-11-12(7-9(8)18-13)23-15(16,17)22-11/h1-10,12H,11H2,(H,25,26,27);1-5,7-8H,6H2,(H,26,28,29);1-5,7-9H,6H2,(H,23,24,25);1-5,7-8H,6H2,(H,21,22,26);1-6H,(H,23,24)(H2,19,20,21,22);2-5,7H,6H2,1H3,(H,18,19,21).

What are the key properties of 3-[(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)carbamoyl]benzoic acid;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-1-methylpyrrole-2-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-phenylbenzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-(tetrazol-1-yl)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-thiophen-2-ylpyridine-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide?

3-[(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)carbamoyl]benzoic acid;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-1-methylpyrrole-2-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-phenylbenzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-(tetrazol-1-yl)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-thiophen-2-ylpyridine-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 2339.94 g/mol, XLogP of 21.08, 13 rotatable bonds, 8 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)carbamoyl]benzoic acid;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-1-methylpyrrole-2-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-phenylbenzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-(tetrazol-1-yl)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-thiophen-2-ylpyridine-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 160748521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).