4-amino-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-fluorobenzamide;4-amino-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(trifluoromethyl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(dimethylamino)pyridine-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-methoxypyridine-4-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-piperidin-1-ylbenzamide

C85H62F14N18O16 — CID 158804014

About 4-amino-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-fluorobenzamide;4-amino-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(trifluoromethyl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(dimethylamino)pyridine-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-methoxypyridine-4-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-piperidin-1-ylbenzamide

4-amino-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-fluorobenzamide;4-amino-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(trifluoromethyl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(dimethylamino)pyridine-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-methoxypyridine-4-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-piperidin-1-ylbenzamide (PubChem CID 158804014) has the molecular formula C85H62F14N18O16 and a molecular weight of 1857.51 g/mol. Its IUPAC name is 4-amino-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-fluorobenzamide;4-amino-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(trifluoromethyl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(dimethylamino)pyridine-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-methoxypyridine-4-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-piperidin-1-ylbenzamide.

Molecular Properties

• Compound Name: 4-amino-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-fluorobenzamide;4-amino-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(trifluoromethyl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(dimethylamino)pyridine-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-methoxypyridine-4-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-piperidin-1-ylbenzamide
• PubChem CID: 158804014
• Molecular Formula: C85H62F14N18O16
• Molecular Weight: 1857.51 g/mol
• Exact Mass: 1856.44
• IUPAC Name: 4-amino-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-fluorobenzamide;4-amino-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(trifluoromethyl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(dimethylamino)pyridine-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-methoxypyridine-4-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-piperidin-1-ylbenzamide
• SMILES: CN(C)c1cc(C(=O)Nc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)ccn1.COc1cc(C(=O)Nc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)ccn1.Nc1ccc(C(=O)NC2=Nc3cc4c(cc3C2)OC(F)(F)O4)cc1C(F)(F)F.Nc1ccc(C(=O)NC2=Nc3cc4c(cc3C2)OC(F)(F)O4)cc1F.O=C(NC1=Nc2cc3c(cc2C1)OC(F)(F)O3)c1cccc(N2CCCCC2)c1
• InChI: InChI=1S/C21H19F2N3O3.C17H10F5N3O3.C16H10F3N3O3.C16H13F2N5O3.C15H10F2N4O4/c22-21(23)28-17-10-14-11-19(24-16(14)12-18(17)29-21)25-20(27)13-5-4-6-15(9-13)26-7-2-1-3-8-26;18-16(19,20)9-3-7(1-2-10(9)23)15(26)25-14-5-8-4-12-13(6-11(8)24-14)28-17(21,22)27-12;17-9-3-7(1-2-10(9)20)15(23)22-14-5-8-4-12-13(6-11(8)21-14)25-16(18,19)24-12;1-23(2)13-5-8(3-4-19-13)14(24)22-15-20-9-6-11-12(7-10(9)21-15)26-16(17,18)25-11;1-23-12-4-7(2-3-18-12)13(22)21-14-19-8-5-10-11(6-9(8)20-14)25-15(16,17)24-10/h4-6,9-10,12H,1-3,7-8,11H2,(H,24,25,27);1-4,6H,5,23H2,(H,24,25,26);1-4,6H,5,20H2,(H,21,22,23);3-7H,1-2H3,(H2,20,21,22,24);2-6H,1H3,(H2,19,20,21,22)
• InChIKey: ITVORVVPDUWUMC-UHFFFAOYSA-N
• XLogP: 15.52
• TPSA: 425.77 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 27
• Rotatable Bonds: 10
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1857.51
LogP ≤ 5	15.52
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-fluorobenzamide;4-amino-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(trifluoromethyl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(dimethylamino)pyridine-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-methoxypyridine-4-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-piperidin-1-ylbenzamide?

The IUPAC name of 4-amino-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-fluorobenzamide;4-amino-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(trifluoromethyl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(dimethylamino)pyridine-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-methoxypyridine-4-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-piperidin-1-ylbenzamide (CID 158804014) is 4-amino-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-fluorobenzamide;4-amino-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(trifluoromethyl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(dimethylamino)pyridine-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-methoxypyridine-4-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-piperidin-1-ylbenzamide.

What is the SMILES notation for 4-amino-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-fluorobenzamide;4-amino-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(trifluoromethyl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(dimethylamino)pyridine-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-methoxypyridine-4-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-piperidin-1-ylbenzamide?

The canonical SMILES for 4-amino-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-fluorobenzamide;4-amino-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(trifluoromethyl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(dimethylamino)pyridine-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-methoxypyridine-4-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-piperidin-1-ylbenzamide is CN(C)c1cc(C(=O)Nc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)ccn1.COc1cc(C(=O)Nc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)ccn1.Nc1ccc(C(=O)NC2=Nc3cc4c(cc3C2)OC(F)(F)O4)cc1C(F)(F)F.Nc1ccc(C(=O)NC2=Nc3cc4c(cc3C2)OC(F)(F)O4)cc1F.O=C(NC1=Nc2cc3c(cc2C1)OC(F)(F)O3)c1cccc(N2CCCCC2)c1.

What is the InChIKey of 4-amino-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-fluorobenzamide;4-amino-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(trifluoromethyl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(dimethylamino)pyridine-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-methoxypyridine-4-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-piperidin-1-ylbenzamide?

The InChIKey is ITVORVVPDUWUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O3.C17H10F5N3O3.C16H10F3N3O3.C16H13F2N5O3.C15H10F2N4O4/c22-21(23)28-17-10-14-11-19(24-16(14)12-18(17)29-21)25-20(27)13-5-4-6-15(9-13)26-7-2-1-3-8-26;18-16(19,20)9-3-7(1-2-10(9)23)15(26)25-14-5-8-4-12-13(6-11(8)24-14)28-17(21,22)27-12;17-9-3-7(1-2-10(9)20)15(23)22-14-5-8-4-12-13(6-11(8)21-14)25-16(18,19)24-12;1-23(2)13-5-8(3-4-19-13)14(24)22-15-20-9-6-11-12(7-10(9)21-15)26-16(17,18)25-11;1-23-12-4-7(2-3-18-12)13(22)21-14-19-8-5-10-11(6-9(8)20-14)25-15(16,17)24-10/h4-6,9-10,12H,1-3,7-8,11H2,(H,24,25,27);1-4,6H,5,23H2,(H,24,25,26);1-4,6H,5,20H2,(H,21,22,23);3-7H,1-2H3,(H2,20,21,22,24);2-6H,1H3,(H2,19,20,21,22).

What are the key properties of 4-amino-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-fluorobenzamide;4-amino-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(trifluoromethyl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(dimethylamino)pyridine-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-methoxypyridine-4-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-piperidin-1-ylbenzamide?

4-amino-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-fluorobenzamide;4-amino-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(trifluoromethyl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(dimethylamino)pyridine-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-methoxypyridine-4-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-piperidin-1-ylbenzamide has a molecular weight of 1857.51 g/mol, XLogP of 15.52, 10 rotatable bonds, 9 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-fluorobenzamide;4-amino-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(trifluoromethyl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(dimethylamino)pyridine-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-methoxypyridine-4-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-piperidin-1-ylbenzamide is sourced from PubChem (CID 158804014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).