N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3,3-difluorobutanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-4,4-difluoropentanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-fluoro-1,2-dimethylcyclopropane-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-fluoro-2-methylcyclopropane-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1,2-oxazole-5-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]propanamide
C99H69Cl6F18N13O19 — CID 158079963
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPACN-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3,3-difluorobutanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-4,4-difluoropentanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-fluoro-1,2-dimethylcyclopropane-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-fluoro-2-methylcyclopropane-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1,2-oxazole-5-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]propanamide
SMILESCC(F)(F)CC(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.CC(F)(F)CCC(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.CC1(F)CC1(C)C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.CC1(F)CC1C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.CCC(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)c1ccno1
InChIInChI=1S/C18H14ClF3N2O3.C17H13ClF4N2O3.C17H12ClF3N2O3.C16H11ClF4N2O3.C16H8ClF2N3O4.C15H11ClF2N2O3/c1-16(8-17(16,2)20)15(25)24-14-4-3-9(7-23-14)10-5-12-13(6-11(10)19)27-18(21,22)26-12;1-16(19,20)5-4-15(25)24-14-3-2-9(8-23-14)10-6-12-13(7-11(10)18)27-17(21,22)26-12;1-16(19)6-10(16)15(24)23-14-3-2-8(7-22-14)9-4-12-13(5-11(9)18)26-17(20,21)25-12;1-15(18,19)6-14(24)23-13-3-2-8(7-22-13)9-4-11-12(5-10(9)17)26-16(20,21)25-11;17-10-6-13-12(24-16(18,19)25-13)5-9(10)8-1-2-14(20-7-8)22-15(23)11-3-4-21-26-11;1-2-14(21)20-13-4-3-8(7-19-13)9-5-11-12(6-10(9)16)23-15(17,18)22-11/h3-7H,8H2,1-2H3,(H,23,24,25);2-3,6-8H,4-5H2,1H3,(H,23,24,25);2-5,7,10H,6H2,1H3,(H,22,23,24);2-5,7H,6H2,1H3,(H,22,23,24);1-7H,(H,20,22,23);3-7H,2H2,1H3,(H,19,20,21)
InChIKeyFMVHCTHSKITJAV-UHFFFAOYSA-N
MW2299.39 g/mol
LogP27.05
Rot. Bonds21
About N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3,3-difluorobutanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-4,4-difluoropentanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-fluoro-1,2-dimethylcyclopropane-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-fluoro-2-methylcyclopropane-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1,2-oxazole-5-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]propanamide
N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3,3-difluorobutanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-4,4-difluoropentanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-fluoro-1,2-dimethylcyclopropane-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-fluoro-2-methylcyclopropane-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1,2-oxazole-5-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]propanamide (PubChem CID 158079963) has the molecular formula C99H69Cl6F18N13O19 and a molecular weight of 2299.39 g/mol. Its IUPAC name is N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3,3-difluorobutanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-4,4-difluoropentanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-fluoro-1,2-dimethylcyclopropane-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-fluoro-2-methylcyclopropane-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1,2-oxazole-5-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]propanamide.
Molecular Properties
| Compound Name | N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3,3-difluorobutanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-4,4-difluoropentanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-fluoro-1,2-dimethylcyclopropane-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-fluoro-2-methylcyclopropane-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1,2-oxazole-5-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]propanamide |
|---|---|
| PubChem CID | 158079963 |
| Molecular Formula | C99H69Cl6F18N13O19 |
| Molecular Weight | 2299.39 g/mol |
| Exact Mass | 2295.27 |
| IUPAC Name | N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3,3-difluorobutanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-4,4-difluoropentanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-fluoro-1,2-dimethylcyclopropane-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-fluoro-2-methylcyclopropane-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1,2-oxazole-5-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]propanamide |
| SMILES | CC(F)(F)CC(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.CC(F)(F)CCC(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.CC1(F)CC1(C)C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.CC1(F)CC1C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.CCC(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)c1ccno1 |
| InChI | InChI=1S/C18H14ClF3N2O3.C17H13ClF4N2O3.C17H12ClF3N2O3.C16H11ClF4N2O3.C16H8ClF2N3O4.C15H11ClF2N2O3/c1-16(8-17(16,2)20)15(25)24-14-4-3-9(7-23-14)10-5-12-13(6-11(10)19)27-18(21,22)26-12;1-16(19,20)5-4-15(25)24-14-3-2-9(8-23-14)10-6-12-13(7-11(10)18)27-17(21,22)26-12;1-16(19)6-10(16)15(24)23-14-3-2-8(7-22-14)9-4-12-13(5-11(9)18)26-17(20,21)25-12;1-15(18,19)6-14(24)23-13-3-2-8(7-22-13)9-4-11-12(5-10(9)17)26-16(20,21)25-11;17-10-6-13-12(24-16(18,19)25-13)5-9(10)8-1-2-14(20-7-8)22-15(23)11-3-4-21-26-11;1-2-14(21)20-13-4-3-8(7-19-13)9-5-11-12(6-10(9)16)23-15(17,18)22-11/h3-7H,8H2,1-2H3,(H,23,24,25);2-3,6-8H,4-5H2,1H3,(H,23,24,25);2-5,7,10H,6H2,1H3,(H,22,23,24);2-5,7H,6H2,1H3,(H,22,23,24);1-7H,(H,20,22,23);3-7H,2H2,1H3,(H,19,20,21) |
| InChIKey | FMVHCTHSKITJAV-UHFFFAOYSA-N |
| XLogP | 27.05 |
| TPSA | 388.73 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 155 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2299.39 |
| LogP ≤ 5 | 27.05 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 26 |
Frequently Asked Questions
What is the IUPAC name of N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3,3-difluorobutanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-4,4-difluoropentanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-fluoro-1,2-dimethylcyclopropane-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-fluoro-2-methylcyclopropane-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1,2-oxazole-5-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]propanamide?
The IUPAC name of N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3,3-difluorobutanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-4,4-difluoropentanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-fluoro-1,2-dimethylcyclopropane-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-fluoro-2-methylcyclopropane-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1,2-oxazole-5-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]propanamide (CID 158079963) is N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3,3-difluorobutanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-4,4-difluoropentanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-fluoro-1,2-dimethylcyclopropane-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-fluoro-2-methylcyclopropane-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1,2-oxazole-5-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]propanamide.
What is the SMILES notation for N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3,3-difluorobutanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-4,4-difluoropentanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-fluoro-1,2-dimethylcyclopropane-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-fluoro-2-methylcyclopropane-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1,2-oxazole-5-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]propanamide?
The canonical SMILES for N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3,3-difluorobutanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-4,4-difluoropentanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-fluoro-1,2-dimethylcyclopropane-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-fluoro-2-methylcyclopropane-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1,2-oxazole-5-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]propanamide is CC(F)(F)CC(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.CC(F)(F)CCC(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.CC1(F)CC1(C)C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.CC1(F)CC1C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.CCC(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)c1ccno1.
What is the InChIKey of N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3,3-difluorobutanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-4,4-difluoropentanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-fluoro-1,2-dimethylcyclopropane-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-fluoro-2-methylcyclopropane-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1,2-oxazole-5-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]propanamide?
The InChIKey is FMVHCTHSKITJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF3N2O3.C17H13ClF4N2O3.C17H12ClF3N2O3.C16H11ClF4N2O3.C16H8ClF2N3O4.C15H11ClF2N2O3/c1-16(8-17(16,2)20)15(25)24-14-4-3-9(7-23-14)10-5-12-13(6-11(10)19)27-18(21,22)26-12;1-16(19,20)5-4-15(25)24-14-3-2-9(8-23-14)10-6-12-13(7-11(10)18)27-17(21,22)26-12;1-16(19)6-10(16)15(24)23-14-3-2-8(7-22-14)9-4-12-13(5-11(9)18)26-17(20,21)25-12;1-15(18,19)6-14(24)23-13-3-2-8(7-22-13)9-4-11-12(5-10(9)17)26-16(20,21)25-11;17-10-6-13-12(24-16(18,19)25-13)5-9(10)8-1-2-14(20-7-8)22-15(23)11-3-4-21-26-11;1-2-14(21)20-13-4-3-8(7-19-13)9-5-11-12(6-10(9)16)23-15(17,18)22-11/h3-7H,8H2,1-2H3,(H,23,24,25);2-3,6-8H,4-5H2,1H3,(H,23,24,25);2-5,7,10H,6H2,1H3,(H,22,23,24);2-5,7H,6H2,1H3,(H,22,23,24);1-7H,(H,20,22,23);3-7H,2H2,1H3,(H,19,20,21).
What are the key properties of N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3,3-difluorobutanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-4,4-difluoropentanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-fluoro-1,2-dimethylcyclopropane-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-fluoro-2-methylcyclopropane-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1,2-oxazole-5-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]propanamide?
N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3,3-difluorobutanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-4,4-difluoropentanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-fluoro-1,2-dimethylcyclopropane-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-fluoro-2-methylcyclopropane-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1,2-oxazole-5-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]propanamide has a molecular weight of 2299.39 g/mol, XLogP of 27.05, 21 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3,3-difluorobutanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-4,4-difluoropentanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-fluoro-1,2-dimethylcyclopropane-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-fluoro-2-methylcyclopropane-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1,2-oxazole-5-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]propanamide is sourced from PubChem (CID 158079963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158079963 — identifiers, structure, computed properties (public domain)
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