1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2-chlorophenyl)ethanone;1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2,6-difluorophenyl)ethanone;1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2-fluorophenyl)ethanone;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-methylcyclopropane-1-carboxamide;[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methylpyridine-4-carboxamide
C114H73Cl6F15N10O18 — CID 159024044
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2-chlorophenyl)ethanone;1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2,6-difluorophenyl)ethanone;1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2-fluorophenyl)ethanone;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-methylcyclopropane-1-carboxamide;[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methylpyridine-4-carboxamide
SMILESCC1(C(=O)Nc2ccc(-c3cc4c(cc3Cl)OC(F)(F)O4)cn2)CC1.Cc1cnccc1C(=O)Nc1ccc(-c2cc3c(cc2C)OC(F)(F)O3)cn1.O=C(Cc1c(F)cccc1F)c1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.O=C(Cc1ccccc1Cl)c1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.O=C(Cc1ccccc1F)c1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.O=C(c1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)N1CCCC1
InChIInChI=1S/C20H11Cl2F2NO3.C20H10ClF4NO3.C20H11ClF3NO3.C20H15F2N3O3.2C17H13ClF2N2O3/c21-14-4-2-1-3-11(14)7-17(26)16-6-5-12(10-25-16)13-8-18-19(9-15(13)22)28-20(23,24)27-18;21-13-8-19-18(28-20(24,25)29-19)7-11(13)10-4-5-16(26-9-10)17(27)6-12-14(22)2-1-3-15(12)23;21-14-9-19-18(27-20(23,24)28-19)8-13(14)12-5-6-16(25-10-12)17(26)7-11-3-1-2-4-15(11)22;1-11-7-16-17(28-20(21,22)27-16)8-15(11)13-3-4-18(24-10-13)25-19(26)14-5-6-23-9-12(14)2;1-16(4-5-16)15(23)22-14-3-2-9(8-21-14)10-6-12-13(7-11(10)18)25-17(19,20)24-12;18-12-8-15-14(24-17(19,20)25-15)7-11(12)10-3-4-13(21-9-10)16(23)22-5-1-2-6-22/h1-6,8-10H,7H2;1-5,7-9H,6H2;1-6,8-10H,7H2;3-10H,1-2H3,(H,24,25,26);2-3,6-8H,4-5H2,1H3,(H,21,22,23);3-4,7-9H,1-2,5-6H2
InChIKeyJUBKUGKLNZHBMJ-UHFFFAOYSA-N
MW2368.58 g/mol
LogP29.27
Rot. Bonds20
About 1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2-chlorophenyl)ethanone;1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2,6-difluorophenyl)ethanone;1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2-fluorophenyl)ethanone;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-methylcyclopropane-1-carboxamide;[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methylpyridine-4-carboxamide
1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2-chlorophenyl)ethanone;1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2,6-difluorophenyl)ethanone;1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2-fluorophenyl)ethanone;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-methylcyclopropane-1-carboxamide;[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methylpyridine-4-carboxamide (PubChem CID 159024044) has the molecular formula C114H73Cl6F15N10O18 and a molecular weight of 2368.58 g/mol. Its IUPAC name is 1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2-chlorophenyl)ethanone;1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2,6-difluorophenyl)ethanone;1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2-fluorophenyl)ethanone;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-methylcyclopropane-1-carboxamide;[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methylpyridine-4-carboxamide.
Molecular Properties
| Compound Name | 1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2-chlorophenyl)ethanone;1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2,6-difluorophenyl)ethanone;1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2-fluorophenyl)ethanone;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-methylcyclopropane-1-carboxamide;[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methylpyridine-4-carboxamide |
|---|---|
| PubChem CID | 159024044 |
| Molecular Formula | C114H73Cl6F15N10O18 |
| Molecular Weight | 2368.58 g/mol |
| Exact Mass | 2364.30 |
| IUPAC Name | 1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2-chlorophenyl)ethanone;1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2,6-difluorophenyl)ethanone;1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2-fluorophenyl)ethanone;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-methylcyclopropane-1-carboxamide;[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methylpyridine-4-carboxamide |
| SMILES | CC1(C(=O)Nc2ccc(-c3cc4c(cc3Cl)OC(F)(F)O4)cn2)CC1.Cc1cnccc1C(=O)Nc1ccc(-c2cc3c(cc2C)OC(F)(F)O3)cn1.O=C(Cc1c(F)cccc1F)c1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.O=C(Cc1ccccc1Cl)c1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.O=C(Cc1ccccc1F)c1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.O=C(c1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)N1CCCC1 |
| InChI | InChI=1S/C20H11Cl2F2NO3.C20H10ClF4NO3.C20H11ClF3NO3.C20H15F2N3O3.2C17H13ClF2N2O3/c21-14-4-2-1-3-11(14)7-17(26)16-6-5-12(10-25-16)13-8-18-19(9-15(13)22)28-20(23,24)27-18;21-13-8-19-18(28-20(24,25)29-19)7-11(13)10-4-5-16(26-9-10)17(27)6-12-14(22)2-1-3-15(12)23;21-14-9-19-18(27-20(23,24)28-19)8-13(14)12-5-6-16(25-10-12)17(26)7-11-3-1-2-4-15(11)22;1-11-7-16-17(28-20(21,22)27-16)8-15(11)13-3-4-18(24-10-13)25-19(26)14-5-6-23-9-12(14)2;1-16(4-5-16)15(23)22-14-3-2-9(8-21-14)10-6-12-13(7-11(10)18)25-17(19,20)24-12;18-12-8-15-14(24-17(19,20)25-15)7-11(12)10-3-4-13(21-9-10)16(23)22-5-1-2-6-22/h1-6,8-10H,7H2;1-5,7-9H,6H2;1-6,8-10H,7H2;3-10H,1-2H3,(H,24,25,26);2-3,6-8H,4-5H2,1H3,(H,21,22,23);3-4,7-9H,1-2,5-6H2 |
| InChIKey | JUBKUGKLNZHBMJ-UHFFFAOYSA-N |
| XLogP | 29.27 |
| TPSA | 330.71 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 163 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2368.58 |
| LogP ≤ 5 | 29.27 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 25 |
Frequently Asked Questions
What is the IUPAC name of 1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2-chlorophenyl)ethanone;1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2,6-difluorophenyl)ethanone;1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2-fluorophenyl)ethanone;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-methylcyclopropane-1-carboxamide;[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methylpyridine-4-carboxamide?
The IUPAC name of 1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2-chlorophenyl)ethanone;1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2,6-difluorophenyl)ethanone;1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2-fluorophenyl)ethanone;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-methylcyclopropane-1-carboxamide;[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methylpyridine-4-carboxamide (CID 159024044) is 1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2-chlorophenyl)ethanone;1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2,6-difluorophenyl)ethanone;1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2-fluorophenyl)ethanone;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-methylcyclopropane-1-carboxamide;[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methylpyridine-4-carboxamide.
What is the SMILES notation for 1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2-chlorophenyl)ethanone;1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2,6-difluorophenyl)ethanone;1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2-fluorophenyl)ethanone;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-methylcyclopropane-1-carboxamide;[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methylpyridine-4-carboxamide?
The canonical SMILES for 1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2-chlorophenyl)ethanone;1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2,6-difluorophenyl)ethanone;1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2-fluorophenyl)ethanone;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-methylcyclopropane-1-carboxamide;[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methylpyridine-4-carboxamide is CC1(C(=O)Nc2ccc(-c3cc4c(cc3Cl)OC(F)(F)O4)cn2)CC1.Cc1cnccc1C(=O)Nc1ccc(-c2cc3c(cc2C)OC(F)(F)O3)cn1.O=C(Cc1c(F)cccc1F)c1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.O=C(Cc1ccccc1Cl)c1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.O=C(Cc1ccccc1F)c1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.O=C(c1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)N1CCCC1.
What is the InChIKey of 1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2-chlorophenyl)ethanone;1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2,6-difluorophenyl)ethanone;1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2-fluorophenyl)ethanone;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-methylcyclopropane-1-carboxamide;[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methylpyridine-4-carboxamide?
The InChIKey is JUBKUGKLNZHBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11Cl2F2NO3.C20H10ClF4NO3.C20H11ClF3NO3.C20H15F2N3O3.2C17H13ClF2N2O3/c21-14-4-2-1-3-11(14)7-17(26)16-6-5-12(10-25-16)13-8-18-19(9-15(13)22)28-20(23,24)27-18;21-13-8-19-18(28-20(24,25)29-19)7-11(13)10-4-5-16(26-9-10)17(27)6-12-14(22)2-1-3-15(12)23;21-14-9-19-18(27-20(23,24)28-19)8-13(14)12-5-6-16(25-10-12)17(26)7-11-3-1-2-4-15(11)22;1-11-7-16-17(28-20(21,22)27-16)8-15(11)13-3-4-18(24-10-13)25-19(26)14-5-6-23-9-12(14)2;1-16(4-5-16)15(23)22-14-3-2-9(8-21-14)10-6-12-13(7-11(10)18)25-17(19,20)24-12;18-12-8-15-14(24-17(19,20)25-15)7-11(12)10-3-4-13(21-9-10)16(23)22-5-1-2-6-22/h1-6,8-10H,7H2;1-5,7-9H,6H2;1-6,8-10H,7H2;3-10H,1-2H3,(H,24,25,26);2-3,6-8H,4-5H2,1H3,(H,21,22,23);3-4,7-9H,1-2,5-6H2.
What are the key properties of 1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2-chlorophenyl)ethanone;1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2,6-difluorophenyl)ethanone;1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2-fluorophenyl)ethanone;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-methylcyclopropane-1-carboxamide;[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methylpyridine-4-carboxamide?
1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2-chlorophenyl)ethanone;1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2,6-difluorophenyl)ethanone;1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2-fluorophenyl)ethanone;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-methylcyclopropane-1-carboxamide;[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methylpyridine-4-carboxamide has a molecular weight of 2368.58 g/mol, XLogP of 29.27, 20 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2-chlorophenyl)ethanone;1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2,6-difluorophenyl)ethanone;1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2-fluorophenyl)ethanone;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-methylcyclopropane-1-carboxamide;[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methylpyridine-4-carboxamide is sourced from PubChem (CID 159024044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.
Sources
- PubChem CID 159024044 — identifiers, structure, computed properties (public domain)
How this page is built: methodology · editorial policy & corrections.
For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.