3-acetyl-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)cyclopenta-1,3-diene-1-carboxamide;4-chloro-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1H-imidazole-5-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-sulfamoylcyclopenta-1,3-diene-1-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(dimethylamino)benzamide;methyl 3-[(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)carbamoyl]benzoate

C93H63ClF12N20O23S — CID 160879212

IUPAC3-acetyl-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)cyclopenta-1,3-diene-1-carboxamide;4-chloro-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1H-imidazole-5-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-sulfamoylcyclopenta-1,3-diene-1-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(dimethylamino)benzamide;methyl 3-[(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)carbamoyl]benzoate
SMILESCC(=O)C1=CCC(C(=O)Nc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)=C1.CN(C)c1cccc(C(=O)NC2=Nc3cc4c(cc3C2)OC(F)(F)O4)c1.COC(=O)c1cccc(C(=O)Nc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1.NS(=O)(=O)C1=CCC(C(=O)Nc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)=C1.O=C(NC1=Nc2cc3c(cc2C1)OC(F)(F)O3)c1ccc(Cl)cc1.O=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1cnc[nH]1
InChIInChI=1S/C18H15F2N3O3.C17H11F2N3O5.C16H9ClF2N2O3.C16H11F2N3O4.C14H10F2N4O5S.C12H7F2N5O3/c1-23(2)12-5-3-4-10(6-12)17(24)22-16-8-11-7-14-15(9-13(11)21-16)26-18(19,20)25-14;1-25-15(24)9-4-2-3-8(5-9)14(23)22-16-20-10-6-12-13(7-11(10)21-16)27-17(18,19)26-12;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;1-7(22)8-2-3-9(4-8)14(23)21-15-19-10-5-12-13(6-11(10)20-15)25-16(17,18)24-12;15-14(16)24-10-4-8-9(5-11(10)25-14)19-13(18-8)20-12(21)6-1-2-7(3-6)26(17,22)23;13-12(14)21-8-1-5-6(2-9(8)22-12)18-11(17-5)19-10(20)7-3-15-4-16-7/h3-7,9H,8H2,1-2H3,(H,21,22,24);2-7H,1H3,(H2,20,21,22,23);1-5,7H,6H2,(H,20,21,22);2,4-6H,3H2,1H3,(H2,19,20,21,23);2-5H,1H2,(H2,17,22,23)(H2,18,19,20,21);1-4H,(H,15,16)(H2,17,18,19,20)
InChIKeySMUVSPUFAGHOED-UHFFFAOYSA-N
MW2124.14 g/mol
LogP15.54
Rot. Bonds14

About 3-acetyl-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)cyclopenta-1,3-diene-1-carboxamide;4-chloro-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1H-imidazole-5-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-sulfamoylcyclopenta-1,3-diene-1-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(dimethylamino)benzamide;methyl 3-[(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)carbamoyl]benzoate

3-acetyl-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)cyclopenta-1,3-diene-1-carboxamide;4-chloro-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1H-imidazole-5-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-sulfamoylcyclopenta-1,3-diene-1-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(dimethylamino)benzamide;methyl 3-[(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)carbamoyl]benzoate (PubChem CID 160879212) has the molecular formula C93H63ClF12N20O23S and a molecular weight of 2124.14 g/mol. Its IUPAC name is 3-acetyl-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)cyclopenta-1,3-diene-1-carboxamide;4-chloro-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1H-imidazole-5-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-sulfamoylcyclopenta-1,3-diene-1-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(dimethylamino)benzamide;methyl 3-[(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)carbamoyl]benzoate.

Molecular Properties

Compound Name3-acetyl-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)cyclopenta-1,3-diene-1-carboxamide;4-chloro-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1H-imidazole-5-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-sulfamoylcyclopenta-1,3-diene-1-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(dimethylamino)benzamide;methyl 3-[(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)carbamoyl]benzoate
PubChem CID160879212
Molecular FormulaC93H63ClF12N20O23S
Molecular Weight2124.14 g/mol
Exact Mass2122.36
IUPAC Name3-acetyl-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)cyclopenta-1,3-diene-1-carboxamide;4-chloro-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1H-imidazole-5-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-sulfamoylcyclopenta-1,3-diene-1-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(dimethylamino)benzamide;methyl 3-[(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)carbamoyl]benzoate
SMILESCC(=O)C1=CCC(C(=O)Nc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)=C1.CN(C)c1cccc(C(=O)NC2=Nc3cc4c(cc3C2)OC(F)(F)O4)c1.COC(=O)c1cccc(C(=O)Nc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1.NS(=O)(=O)C1=CCC(C(=O)Nc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)=C1.O=C(NC1=Nc2cc3c(cc2C1)OC(F)(F)O3)c1ccc(Cl)cc1.O=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1cnc[nH]1
InChIInChI=1S/C18H15F2N3O3.C17H11F2N3O5.C16H9ClF2N2O3.C16H11F2N3O4.C14H10F2N4O5S.C12H7F2N5O3/c1-23(2)12-5-3-4-10(6-12)17(24)22-16-8-11-7-14-15(9-13(11)21-16)26-18(19,20)25-14;1-25-15(24)9-4-2-3-8(5-9)14(23)22-16-20-10-6-12-13(7-11(10)21-16)27-17(18,19)26-12;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;1-7(22)8-2-3-9(4-8)14(23)21-15-19-10-5-12-13(6-11(10)20-15)25-16(17,18)24-12;15-14(16)24-10-4-8-9(5-11(10)25-14)19-13(18-8)20-12(21)6-1-2-7(3-6)26(17,22)23;13-12(14)21-8-1-5-6(2-9(8)22-12)18-11(17-5)19-10(20)7-3-15-4-16-7/h3-7,9H,8H2,1-2H3,(H,21,22,24);2-7H,1H3,(H2,20,21,22,23);1-5,7H,6H2,(H,20,21,22);2,4-6H,3H2,1H3,(H2,19,20,21,23);2-5H,1H2,(H2,17,22,23)(H2,18,19,20,21);1-4H,(H,15,16)(H2,17,18,19,20)
InChIKeySMUVSPUFAGHOED-UHFFFAOYSA-N
XLogP15.54
TPSA560.25 Ų
H-Bond Donors12
H-Bond Acceptors31
Rotatable Bonds14
Heavy Atoms150
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002124.14
LogP ≤ 515.54
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1031

Analyze 3-acetyl-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)cyclopenta-1,3-diene-1-carboxamide;4-chloro-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1H-imidazole-5-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-sulfamoylcyclopenta-1,3-diene-1-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(dimethylamino)benzamide;methyl 3-[(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)carbamoyl]benzoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)cyclopenta-1,3-diene-1-carboxamide;4-chloro-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1H-imidazole-5-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-sulfamoylcyclopenta-1,3-diene-1-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(dimethylamino)benzamide;methyl 3-[(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)carbamoyl]benzoate?
The IUPAC name of 3-acetyl-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)cyclopenta-1,3-diene-1-carboxamide;4-chloro-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1H-imidazole-5-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-sulfamoylcyclopenta-1,3-diene-1-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(dimethylamino)benzamide;methyl 3-[(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)carbamoyl]benzoate (CID 160879212) is 3-acetyl-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)cyclopenta-1,3-diene-1-carboxamide;4-chloro-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1H-imidazole-5-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-sulfamoylcyclopenta-1,3-diene-1-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(dimethylamino)benzamide;methyl 3-[(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)carbamoyl]benzoate.
What is the SMILES notation for 3-acetyl-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)cyclopenta-1,3-diene-1-carboxamide;4-chloro-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1H-imidazole-5-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-sulfamoylcyclopenta-1,3-diene-1-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(dimethylamino)benzamide;methyl 3-[(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)carbamoyl]benzoate?
The canonical SMILES for 3-acetyl-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)cyclopenta-1,3-diene-1-carboxamide;4-chloro-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1H-imidazole-5-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-sulfamoylcyclopenta-1,3-diene-1-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(dimethylamino)benzamide;methyl 3-[(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)carbamoyl]benzoate is CC(=O)C1=CCC(C(=O)Nc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)=C1.CN(C)c1cccc(C(=O)NC2=Nc3cc4c(cc3C2)OC(F)(F)O4)c1.COC(=O)c1cccc(C(=O)Nc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1.NS(=O)(=O)C1=CCC(C(=O)Nc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)=C1.O=C(NC1=Nc2cc3c(cc2C1)OC(F)(F)O3)c1ccc(Cl)cc1.O=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1cnc[nH]1.
What is the InChIKey of 3-acetyl-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)cyclopenta-1,3-diene-1-carboxamide;4-chloro-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1H-imidazole-5-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-sulfamoylcyclopenta-1,3-diene-1-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(dimethylamino)benzamide;methyl 3-[(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)carbamoyl]benzoate?
The InChIKey is SMUVSPUFAGHOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O3.C17H11F2N3O5.C16H9ClF2N2O3.C16H11F2N3O4.C14H10F2N4O5S.C12H7F2N5O3/c1-23(2)12-5-3-4-10(6-12)17(24)22-16-8-11-7-14-15(9-13(11)21-16)26-18(19,20)25-14;1-25-15(24)9-4-2-3-8(5-9)14(23)22-16-20-10-6-12-13(7-11(10)21-16)27-17(18,19)26-12;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;1-7(22)8-2-3-9(4-8)14(23)21-15-19-10-5-12-13(6-11(10)20-15)25-16(17,18)24-12;15-14(16)24-10-4-8-9(5-11(10)25-14)19-13(18-8)20-12(21)6-1-2-7(3-6)26(17,22)23;13-12(14)21-8-1-5-6(2-9(8)22-12)18-11(17-5)19-10(20)7-3-15-4-16-7/h3-7,9H,8H2,1-2H3,(H,21,22,24);2-7H,1H3,(H2,20,21,22,23);1-5,7H,6H2,(H,20,21,22);2,4-6H,3H2,1H3,(H2,19,20,21,23);2-5H,1H2,(H2,17,22,23)(H2,18,19,20,21);1-4H,(H,15,16)(H2,17,18,19,20).
What are the key properties of 3-acetyl-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)cyclopenta-1,3-diene-1-carboxamide;4-chloro-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1H-imidazole-5-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-sulfamoylcyclopenta-1,3-diene-1-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(dimethylamino)benzamide;methyl 3-[(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)carbamoyl]benzoate?
3-acetyl-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)cyclopenta-1,3-diene-1-carboxamide;4-chloro-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1H-imidazole-5-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-sulfamoylcyclopenta-1,3-diene-1-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(dimethylamino)benzamide;methyl 3-[(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)carbamoyl]benzoate has a molecular weight of 2124.14 g/mol, XLogP of 15.54, 14 rotatable bonds, 12 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)cyclopenta-1,3-diene-1-carboxamide;4-chloro-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1H-imidazole-5-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-sulfamoylcyclopenta-1,3-diene-1-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(dimethylamino)benzamide;methyl 3-[(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)carbamoyl]benzoate is sourced from PubChem (CID 160879212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).