N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3,5-dimethoxybenzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(1,3-thiazol-2-yl)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-(furan-2-yl)pyridine-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-(3-methoxyphenyl)acetamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(2H-pyrrol-5-yl)benzamide

C92H61F10N15O19S — CID 160978456

IUPACN-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3,5-dimethoxybenzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(1,3-thiazol-2-yl)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-(furan-2-yl)pyridine-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-(3-methoxyphenyl)acetamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(2H-pyrrol-5-yl)benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1.COc1cccc(CC(=O)NC2=Nc3cc4c(cc3C2)OC(F)(F)O4)c1.O=C(NC1=Nc2cc3c(cc2C1)OC(F)(F)O3)c1cccc(C2=NCC=C2)c1.O=C(NC1=Nc2cc3c(cc2C1)OC(F)(F)O3)c1cncc(-c2ccco2)c1.O=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1cccc(-c2nccs2)c1
InChIInChI=1S/C20H13F2N3O3.C19H11F2N3O4.C18H10F2N4O3S.C18H14F2N2O4.C17H13F2N3O5/c21-20(22)27-16-8-13-9-18(24-15(13)10-17(16)28-20)25-19(26)12-4-1-3-11(7-12)14-5-2-6-23-14;20-19(21)27-15-5-10-6-17(23-13(10)7-16(15)28-19)24-18(25)12-4-11(8-22-9-12)14-2-1-3-26-14;19-18(20)26-13-7-11-12(8-14(13)27-18)23-17(22-11)24-15(25)9-2-1-3-10(6-9)16-21-4-5-28-16;1-24-12-4-2-3-10(5-12)6-17(23)22-16-8-11-7-14-15(9-13(11)21-16)26-18(19,20)25-14;1-24-9-3-8(4-10(5-9)25-2)15(23)22-16-20-11-6-13-14(7-12(11)21-16)27-17(18,19)26-13/h1-5,7-8,10H,6,9H2,(H,24,25,26);1-5,7-9H,6H2,(H,23,24,25);1-8H,(H2,22,23,24,25);2-5,7,9H,6,8H2,1H3,(H,21,22,23);3-7H,1-2H3,(H2,20,21,22,23)
InChIKeySZEOZUXQBRRZKV-UHFFFAOYSA-N
MW1902.63 g/mol
LogP17.44
Rot. Bonds14

About N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3,5-dimethoxybenzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(1,3-thiazol-2-yl)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-(furan-2-yl)pyridine-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-(3-methoxyphenyl)acetamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(2H-pyrrol-5-yl)benzamide

N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3,5-dimethoxybenzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(1,3-thiazol-2-yl)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-(furan-2-yl)pyridine-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-(3-methoxyphenyl)acetamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(2H-pyrrol-5-yl)benzamide (PubChem CID 160978456) has the molecular formula C92H61F10N15O19S and a molecular weight of 1902.63 g/mol. Its IUPAC name is N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3,5-dimethoxybenzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(1,3-thiazol-2-yl)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-(furan-2-yl)pyridine-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-(3-methoxyphenyl)acetamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(2H-pyrrol-5-yl)benzamide.

Molecular Properties

Compound NameN-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3,5-dimethoxybenzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(1,3-thiazol-2-yl)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-(furan-2-yl)pyridine-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-(3-methoxyphenyl)acetamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(2H-pyrrol-5-yl)benzamide
PubChem CID160978456
Molecular FormulaC92H61F10N15O19S
Molecular Weight1902.63 g/mol
Exact Mass1901.38
IUPAC NameN-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3,5-dimethoxybenzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(1,3-thiazol-2-yl)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-(furan-2-yl)pyridine-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-(3-methoxyphenyl)acetamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(2H-pyrrol-5-yl)benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1.COc1cccc(CC(=O)NC2=Nc3cc4c(cc3C2)OC(F)(F)O4)c1.O=C(NC1=Nc2cc3c(cc2C1)OC(F)(F)O3)c1cccc(C2=NCC=C2)c1.O=C(NC1=Nc2cc3c(cc2C1)OC(F)(F)O3)c1cncc(-c2ccco2)c1.O=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1cccc(-c2nccs2)c1
InChIInChI=1S/C20H13F2N3O3.C19H11F2N3O4.C18H10F2N4O3S.C18H14F2N2O4.C17H13F2N3O5/c21-20(22)27-16-8-13-9-18(24-15(13)10-17(16)28-20)25-19(26)12-4-1-3-11(7-12)14-5-2-6-23-14;20-19(21)27-15-5-10-6-17(23-13(10)7-16(15)28-19)24-18(25)12-4-11(8-22-9-12)14-2-1-3-26-14;19-18(20)26-13-7-11-12(8-14(13)27-18)23-17(22-11)24-15(25)9-2-1-3-10(6-9)16-21-4-5-28-16;1-24-12-4-2-3-10(5-12)6-17(23)22-16-8-11-7-14-15(9-13(11)21-16)26-18(19,20)25-14;1-24-9-3-8(4-10(5-9)25-2)15(23)22-16-20-11-6-13-14(7-12(11)21-16)27-17(18,19)26-13/h1-5,7-8,10H,6,9H2,(H,24,25,26);1-5,7-9H,6H2,(H,23,24,25);1-8H,(H2,22,23,24,25);2-5,7,9H,6,8H2,1H3,(H,21,22,23);3-7H,1-2H3,(H2,20,21,22,23)
InChIKeySZEOZUXQBRRZKV-UHFFFAOYSA-N
XLogP17.44
TPSA411.21 Ų
H-Bond Donors7
H-Bond Acceptors28
Rotatable Bonds14
Heavy Atoms137
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001902.63
LogP ≤ 517.44
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1028

Analyze N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3,5-dimethoxybenzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(1,3-thiazol-2-yl)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-(furan-2-yl)pyridine-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-(3-methoxyphenyl)acetamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(2H-pyrrol-5-yl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3,5-dimethoxybenzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(1,3-thiazol-2-yl)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-(furan-2-yl)pyridine-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-(3-methoxyphenyl)acetamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(2H-pyrrol-5-yl)benzamide?
The IUPAC name of N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3,5-dimethoxybenzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(1,3-thiazol-2-yl)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-(furan-2-yl)pyridine-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-(3-methoxyphenyl)acetamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(2H-pyrrol-5-yl)benzamide (CID 160978456) is N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3,5-dimethoxybenzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(1,3-thiazol-2-yl)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-(furan-2-yl)pyridine-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-(3-methoxyphenyl)acetamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(2H-pyrrol-5-yl)benzamide.
What is the SMILES notation for N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3,5-dimethoxybenzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(1,3-thiazol-2-yl)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-(furan-2-yl)pyridine-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-(3-methoxyphenyl)acetamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(2H-pyrrol-5-yl)benzamide?
The canonical SMILES for N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3,5-dimethoxybenzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(1,3-thiazol-2-yl)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-(furan-2-yl)pyridine-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-(3-methoxyphenyl)acetamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(2H-pyrrol-5-yl)benzamide is COc1cc(OC)cc(C(=O)Nc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1.COc1cccc(CC(=O)NC2=Nc3cc4c(cc3C2)OC(F)(F)O4)c1.O=C(NC1=Nc2cc3c(cc2C1)OC(F)(F)O3)c1cccc(C2=NCC=C2)c1.O=C(NC1=Nc2cc3c(cc2C1)OC(F)(F)O3)c1cncc(-c2ccco2)c1.O=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1cccc(-c2nccs2)c1.
What is the InChIKey of N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3,5-dimethoxybenzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(1,3-thiazol-2-yl)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-(furan-2-yl)pyridine-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-(3-methoxyphenyl)acetamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(2H-pyrrol-5-yl)benzamide?
The InChIKey is SZEOZUXQBRRZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2N3O3.C19H11F2N3O4.C18H10F2N4O3S.C18H14F2N2O4.C17H13F2N3O5/c21-20(22)27-16-8-13-9-18(24-15(13)10-17(16)28-20)25-19(26)12-4-1-3-11(7-12)14-5-2-6-23-14;20-19(21)27-15-5-10-6-17(23-13(10)7-16(15)28-19)24-18(25)12-4-11(8-22-9-12)14-2-1-3-26-14;19-18(20)26-13-7-11-12(8-14(13)27-18)23-17(22-11)24-15(25)9-2-1-3-10(6-9)16-21-4-5-28-16;1-24-12-4-2-3-10(5-12)6-17(23)22-16-8-11-7-14-15(9-13(11)21-16)26-18(19,20)25-14;1-24-9-3-8(4-10(5-9)25-2)15(23)22-16-20-11-6-13-14(7-12(11)21-16)27-17(18,19)26-13/h1-5,7-8,10H,6,9H2,(H,24,25,26);1-5,7-9H,6H2,(H,23,24,25);1-8H,(H2,22,23,24,25);2-5,7,9H,6,8H2,1H3,(H,21,22,23);3-7H,1-2H3,(H2,20,21,22,23).
What are the key properties of N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3,5-dimethoxybenzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(1,3-thiazol-2-yl)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-(furan-2-yl)pyridine-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-(3-methoxyphenyl)acetamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(2H-pyrrol-5-yl)benzamide?
N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3,5-dimethoxybenzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(1,3-thiazol-2-yl)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-(furan-2-yl)pyridine-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-(3-methoxyphenyl)acetamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(2H-pyrrol-5-yl)benzamide has a molecular weight of 1902.63 g/mol, XLogP of 17.44, 14 rotatable bonds, 7 hydrogen bond donors, and 28 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)-3,5-dimethoxybenzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(1,3-thiazol-2-yl)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-(furan-2-yl)pyridine-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-(3-methoxyphenyl)acetamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(2H-pyrrol-5-yl)benzamide is sourced from PubChem (CID 160978456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).