6-amino-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)pyridine-3-carboxamide;4-chloro-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzamide;3,4-dichloro-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzamide;4-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzene-1,4-dicarboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(methanesulfonamido)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-methylbenzamide

C98H63Cl3F12N16O21S — CID 159446409

IUPAC6-amino-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)pyridine-3-carboxamide;4-chloro-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzamide;3,4-dichloro-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzamide;4-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzene-1,4-dicarboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(methanesulfonamido)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-methylbenzamide
SMILESCS(=O)(=O)Nc1cccc(C(=O)NC2=Nc3cc4c(cc3C2)OC(F)(F)O4)c1.Cc1ccc(C(=O)NC2=Nc3cc4c(cc3C2)OC(F)(F)O4)cc1.NC(=O)c1ccc(C(=O)NC2=Nc3cc4c(cc3C2)OC(F)(F)O4)cc1.Nc1ccc(C(=O)NC2=Nc3cc4c(cc3C2)OC(F)(F)O4)cn1.O=C(NC1=Nc2cc3c(cc2C1)OC(F)(F)O3)c1ccc(Cl)c(Cl)c1.O=C(NC1=Nc2cc3c(cc2C1)OC(F)(F)O3)c1ccc(Cl)cc1
InChIInChI=1S/C17H13F2N3O5S.C17H11F2N3O4.C17H12F2N2O3.C16H8Cl2F2N2O3.C16H9ClF2N2O3.C15H10F2N4O3/c1-28(24,25)22-11-4-2-3-9(5-11)16(23)21-15-7-10-6-13-14(8-12(10)20-15)27-17(18,19)26-13;18-17(19)25-12-5-10-6-14(21-11(10)7-13(12)26-17)22-16(24)9-3-1-8(2-4-9)15(20)23;1-9-2-4-10(5-3-9)16(22)21-15-7-11-6-13-14(8-12(11)20-15)24-17(18,19)23-13;17-9-2-1-7(3-10(9)18)15(23)22-14-5-8-4-12-13(6-11(8)21-14)25-16(19,20)24-12;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;16-15(17)23-10-3-8-4-13(20-9(8)5-11(10)24-15)21-14(22)7-1-2-12(18)19-6-7/h2-6,8,22H,7H2,1H3,(H,20,21,23);1-5,7H,6H2,(H2,20,23)(H,21,22,24);2-6,8H,7H2,1H3,(H,20,21,22);1-4,6H,5H2,(H,21,22,23);1-5,7H,6H2,(H,20,21,22);1-3,5-6H,4H2,(H2,18,19)(H,20,21,22)
InChIKeyLSUUZUZJHMDDCQ-UHFFFAOYSA-N
MW2167.07 g/mol
LogP17.86
Rot. Bonds9

About 6-amino-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)pyridine-3-carboxamide;4-chloro-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzamide;3,4-dichloro-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzamide;4-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzene-1,4-dicarboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(methanesulfonamido)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-methylbenzamide

6-amino-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)pyridine-3-carboxamide;4-chloro-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzamide;3,4-dichloro-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzamide;4-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzene-1,4-dicarboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(methanesulfonamido)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-methylbenzamide (PubChem CID 159446409) has the molecular formula C98H63Cl3F12N16O21S and a molecular weight of 2167.07 g/mol. Its IUPAC name is 6-amino-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)pyridine-3-carboxamide;4-chloro-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzamide;3,4-dichloro-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzamide;4-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzene-1,4-dicarboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(methanesulfonamido)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-methylbenzamide.

Molecular Properties

Compound Name6-amino-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)pyridine-3-carboxamide;4-chloro-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzamide;3,4-dichloro-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzamide;4-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzene-1,4-dicarboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(methanesulfonamido)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-methylbenzamide
PubChem CID159446409
Molecular FormulaC98H63Cl3F12N16O21S
Molecular Weight2167.07 g/mol
Exact Mass2164.29
IUPAC Name6-amino-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)pyridine-3-carboxamide;4-chloro-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzamide;3,4-dichloro-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzamide;4-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzene-1,4-dicarboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(methanesulfonamido)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-methylbenzamide
SMILESCS(=O)(=O)Nc1cccc(C(=O)NC2=Nc3cc4c(cc3C2)OC(F)(F)O4)c1.Cc1ccc(C(=O)NC2=Nc3cc4c(cc3C2)OC(F)(F)O4)cc1.NC(=O)c1ccc(C(=O)NC2=Nc3cc4c(cc3C2)OC(F)(F)O4)cc1.Nc1ccc(C(=O)NC2=Nc3cc4c(cc3C2)OC(F)(F)O4)cn1.O=C(NC1=Nc2cc3c(cc2C1)OC(F)(F)O3)c1ccc(Cl)c(Cl)c1.O=C(NC1=Nc2cc3c(cc2C1)OC(F)(F)O3)c1ccc(Cl)cc1
InChIInChI=1S/C17H13F2N3O5S.C17H11F2N3O4.C17H12F2N2O3.C16H8Cl2F2N2O3.C16H9ClF2N2O3.C15H10F2N4O3/c1-28(24,25)22-11-4-2-3-9(5-11)16(23)21-15-7-10-6-13-14(8-12(10)20-15)27-17(18,19)26-13;18-17(19)25-12-5-10-6-14(21-11(10)7-13(12)26-17)22-16(24)9-3-1-8(2-4-9)15(20)23;1-9-2-4-10(5-3-9)16(22)21-15-7-11-6-13-14(8-12(11)20-15)24-17(18,19)23-13;17-9-2-1-7(3-10(9)18)15(23)22-14-5-8-4-12-13(6-11(8)21-14)25-16(19,20)24-12;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;16-15(17)23-10-3-8-4-13(20-9(8)5-11(10)24-15)21-14(22)7-1-2-12(18)19-6-7/h2-6,8,22H,7H2,1H3,(H,20,21,23);1-5,7H,6H2,(H2,20,23)(H,21,22,24);2-6,8H,7H2,1H3,(H,20,21,22);1-4,6H,5H2,(H,21,22,23);1-5,7H,6H2,(H,20,21,22);1-3,5-6H,4H2,(H2,18,19)(H,20,21,22)
InChIKeyLSUUZUZJHMDDCQ-UHFFFAOYSA-N
XLogP17.86
TPSA487.69 Ų
H-Bond Donors9
H-Bond Acceptors29
Rotatable Bonds9
Heavy Atoms151
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002167.07
LogP ≤ 517.86
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1029

Analyze 6-amino-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)pyridine-3-carboxamide;4-chloro-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzamide;3,4-dichloro-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzamide;4-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzene-1,4-dicarboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(methanesulfonamido)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-methylbenzamide with MolForge

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Related Compounds

N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(trifluoromethoxy)benzamide
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N-[3-(4-chlorobenzoyl)phenyl]methanesulfonamide
CID 110427114
N-(4-carbamoylphenyl)-3-[(2,5-dichlorophenyl)sulfonylamino]benzamide
CID 24640884
3-acetamido-N-(5-chloro-2-pyridinyl)benzamide
CID 13177093
benzamide;1-chloro-4-methylbenzene;methane;N-(4-methylphenyl)benzamide
CID 158954250
3-[(6-chloro-3H-indol-2-yl)amino]-N-methylbenzamide
CID 157203662
6-amino-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 62059203
3-benzamido-N-(5-chloro-2-pyridinyl)benzamide
CID 3929829
N-(6-amino-3-pyridinyl)-3-chlorobenzamide
CID 62899569
3,4-dichloro-N-[1-[3-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]benzamide
CID 3531180
2-chloro-N-(4-chlorophenyl)-5-(methanesulfonamido)benzamide
CID 92685896
4-methyl-N-[3-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]benzamide
CID 2301934

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)pyridine-3-carboxamide;4-chloro-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzamide;3,4-dichloro-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzamide;4-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzene-1,4-dicarboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(methanesulfonamido)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-methylbenzamide?
The IUPAC name of 6-amino-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)pyridine-3-carboxamide;4-chloro-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzamide;3,4-dichloro-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzamide;4-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzene-1,4-dicarboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(methanesulfonamido)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-methylbenzamide (CID 159446409) is 6-amino-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)pyridine-3-carboxamide;4-chloro-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzamide;3,4-dichloro-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzamide;4-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzene-1,4-dicarboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(methanesulfonamido)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-methylbenzamide.
What is the SMILES notation for 6-amino-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)pyridine-3-carboxamide;4-chloro-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzamide;3,4-dichloro-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzamide;4-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzene-1,4-dicarboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(methanesulfonamido)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-methylbenzamide?
The canonical SMILES for 6-amino-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)pyridine-3-carboxamide;4-chloro-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzamide;3,4-dichloro-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzamide;4-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzene-1,4-dicarboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(methanesulfonamido)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-methylbenzamide is CS(=O)(=O)Nc1cccc(C(=O)NC2=Nc3cc4c(cc3C2)OC(F)(F)O4)c1.Cc1ccc(C(=O)NC2=Nc3cc4c(cc3C2)OC(F)(F)O4)cc1.NC(=O)c1ccc(C(=O)NC2=Nc3cc4c(cc3C2)OC(F)(F)O4)cc1.Nc1ccc(C(=O)NC2=Nc3cc4c(cc3C2)OC(F)(F)O4)cn1.O=C(NC1=Nc2cc3c(cc2C1)OC(F)(F)O3)c1ccc(Cl)c(Cl)c1.O=C(NC1=Nc2cc3c(cc2C1)OC(F)(F)O3)c1ccc(Cl)cc1.
What is the InChIKey of 6-amino-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)pyridine-3-carboxamide;4-chloro-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzamide;3,4-dichloro-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzamide;4-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzene-1,4-dicarboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(methanesulfonamido)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-methylbenzamide?
The InChIKey is LSUUZUZJHMDDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O5S.C17H11F2N3O4.C17H12F2N2O3.C16H8Cl2F2N2O3.C16H9ClF2N2O3.C15H10F2N4O3/c1-28(24,25)22-11-4-2-3-9(5-11)16(23)21-15-7-10-6-13-14(8-12(10)20-15)27-17(18,19)26-13;18-17(19)25-12-5-10-6-14(21-11(10)7-13(12)26-17)22-16(24)9-3-1-8(2-4-9)15(20)23;1-9-2-4-10(5-3-9)16(22)21-15-7-11-6-13-14(8-12(11)20-15)24-17(18,19)23-13;17-9-2-1-7(3-10(9)18)15(23)22-14-5-8-4-12-13(6-11(8)21-14)25-16(19,20)24-12;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;16-15(17)23-10-3-8-4-13(20-9(8)5-11(10)24-15)21-14(22)7-1-2-12(18)19-6-7/h2-6,8,22H,7H2,1H3,(H,20,21,23);1-5,7H,6H2,(H2,20,23)(H,21,22,24);2-6,8H,7H2,1H3,(H,20,21,22);1-4,6H,5H2,(H,21,22,23);1-5,7H,6H2,(H,20,21,22);1-3,5-6H,4H2,(H2,18,19)(H,20,21,22).
What are the key properties of 6-amino-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)pyridine-3-carboxamide;4-chloro-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzamide;3,4-dichloro-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzamide;4-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzene-1,4-dicarboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(methanesulfonamido)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-methylbenzamide?
6-amino-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)pyridine-3-carboxamide;4-chloro-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzamide;3,4-dichloro-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzamide;4-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzene-1,4-dicarboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(methanesulfonamido)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-methylbenzamide has a molecular weight of 2167.07 g/mol, XLogP of 17.86, 9 rotatable bonds, 9 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)pyridine-3-carboxamide;4-chloro-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzamide;3,4-dichloro-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzamide;4-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzene-1,4-dicarboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(methanesulfonamido)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-methylbenzamide is sourced from PubChem (CID 159446409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).