2-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]benzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-methylpyridine-3-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-6-methylpyridine-3-carboxamide;2,6-difluoro-N-[5-(6-formyl-1,3-benzodioxol-5-yl)-6-methyl-2-pyridinyl]benzamide
C113H64Cl6F15N17O19 — CID 158149961
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC2-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]benzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-methylpyridine-3-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-6-methylpyridine-3-carboxamide;2,6-difluoro-N-[5-(6-formyl-1,3-benzodioxol-5-yl)-6-methyl-2-pyridinyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(-c3cc4c(cc3Cl)OC(F)(F)O4)cn2)cn1.Cc1cncc(C(=O)Nc2ccc(-c3cc4c(cc3Cl)OC(F)(F)O4)cn2)c1.Cc1nc(NC(=O)c2c(F)cccc2F)ccc1-c1cc2c(cc1C=O)OCO2.O=C(Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)c1c(F)cccc1F.O=C(Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)c1ccccc1Cl.O=C(Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)c1ccccc1F
InChIInChI=1S/C21H14F2N2O4.2C19H12ClF2N3O3.C18H9Cl2F2N3O3.C18H8ClF4N3O3.C18H9ClF3N3O3/c1-11-13(14-8-18-17(28-10-29-18)7-12(14)9-26)5-6-19(24-11)25-21(27)20-15(22)3-2-4-16(20)23;1-10-4-12(8-23-7-10)18(26)25-17-3-2-11(9-24-17)13-5-15-16(6-14(13)20)28-19(21,22)27-15;1-10-2-3-12(9-23-10)18(26)25-17-5-4-11(8-24-17)13-6-15-16(7-14(13)20)28-19(21,22)27-15;19-11-4-2-1-3-9(11)17(26)25-16-8-23-13(7-24-16)10-5-14-15(6-12(10)20)28-18(21,22)27-14;19-9-5-14-13(28-18(22,23)29-14)4-8(9)12-6-25-15(7-24-12)26-17(27)16-10(20)2-1-3-11(16)21;19-11-6-15-14(27-18(21,22)28-15)5-10(11)13-7-24-16(8-23-13)25-17(26)9-3-1-2-4-12(9)20/h2-9H,10H2,1H3,(H,24,25,27);2*2-9H,1H3,(H,24,25,26);1-8H,(H,24,25,26);1-7H,(H,25,26,27);1-8H,(H,24,25,26)
InChIKeyFUZFYIPEWWNFJW-UHFFFAOYSA-N
MW2461.54 g/mol
LogP27.67
Rot. Bonds19
About 2-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]benzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-methylpyridine-3-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-6-methylpyridine-3-carboxamide;2,6-difluoro-N-[5-(6-formyl-1,3-benzodioxol-5-yl)-6-methyl-2-pyridinyl]benzamide
2-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]benzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-methylpyridine-3-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-6-methylpyridine-3-carboxamide;2,6-difluoro-N-[5-(6-formyl-1,3-benzodioxol-5-yl)-6-methyl-2-pyridinyl]benzamide (PubChem CID 158149961) has the molecular formula C113H64Cl6F15N17O19 and a molecular weight of 2461.54 g/mol. Its IUPAC name is 2-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]benzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-methylpyridine-3-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-6-methylpyridine-3-carboxamide;2,6-difluoro-N-[5-(6-formyl-1,3-benzodioxol-5-yl)-6-methyl-2-pyridinyl]benzamide.
Molecular Properties
| Compound Name | 2-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]benzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-methylpyridine-3-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-6-methylpyridine-3-carboxamide;2,6-difluoro-N-[5-(6-formyl-1,3-benzodioxol-5-yl)-6-methyl-2-pyridinyl]benzamide |
|---|---|
| PubChem CID | 158149961 |
| Molecular Formula | C113H64Cl6F15N17O19 |
| Molecular Weight | 2461.54 g/mol |
| Exact Mass | 2457.25 |
| IUPAC Name | 2-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]benzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-methylpyridine-3-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-6-methylpyridine-3-carboxamide;2,6-difluoro-N-[5-(6-formyl-1,3-benzodioxol-5-yl)-6-methyl-2-pyridinyl]benzamide |
| SMILES | Cc1ccc(C(=O)Nc2ccc(-c3cc4c(cc3Cl)OC(F)(F)O4)cn2)cn1.Cc1cncc(C(=O)Nc2ccc(-c3cc4c(cc3Cl)OC(F)(F)O4)cn2)c1.Cc1nc(NC(=O)c2c(F)cccc2F)ccc1-c1cc2c(cc1C=O)OCO2.O=C(Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)c1c(F)cccc1F.O=C(Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)c1ccccc1Cl.O=C(Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)c1ccccc1F |
| InChI | InChI=1S/C21H14F2N2O4.2C19H12ClF2N3O3.C18H9Cl2F2N3O3.C18H8ClF4N3O3.C18H9ClF3N3O3/c1-11-13(14-8-18-17(28-10-29-18)7-12(14)9-26)5-6-19(24-11)25-21(27)20-15(22)3-2-4-16(20)23;1-10-4-12(8-23-7-10)18(26)25-17-3-2-11(9-24-17)13-5-15-16(6-14(13)20)28-19(21,22)27-15;1-10-2-3-12(9-23-10)18(26)25-17-5-4-11(8-24-17)13-6-15-16(7-14(13)20)28-19(21,22)27-15;19-11-4-2-1-3-9(11)17(26)25-16-8-23-13(7-24-16)10-5-14-15(6-12(10)20)28-18(21,22)27-14;19-9-5-14-13(28-18(22,23)29-14)4-8(9)12-6-25-15(7-24-12)26-17(27)16-10(20)2-1-3-11(16)21;19-11-6-15-14(27-18(21,22)28-15)5-10(11)13-7-24-16(8-23-13)25-17(26)9-3-1-2-4-12(9)20/h2-9H,10H2,1H3,(H,24,25,27);2*2-9H,1H3,(H,24,25,26);1-8H,(H,24,25,26);1-7H,(H,25,26,27);1-8H,(H,24,25,26) |
| InChIKey | FUZFYIPEWWNFJW-UHFFFAOYSA-N |
| XLogP | 27.67 |
| TPSA | 444.22 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 170 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2461.54 |
| LogP ≤ 5 | 27.67 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 30 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of 2-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]benzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-methylpyridine-3-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-6-methylpyridine-3-carboxamide;2,6-difluoro-N-[5-(6-formyl-1,3-benzodioxol-5-yl)-6-methyl-2-pyridinyl]benzamide?
The IUPAC name of 2-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]benzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-methylpyridine-3-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-6-methylpyridine-3-carboxamide;2,6-difluoro-N-[5-(6-formyl-1,3-benzodioxol-5-yl)-6-methyl-2-pyridinyl]benzamide (CID 158149961) is 2-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]benzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-methylpyridine-3-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-6-methylpyridine-3-carboxamide;2,6-difluoro-N-[5-(6-formyl-1,3-benzodioxol-5-yl)-6-methyl-2-pyridinyl]benzamide.
What is the SMILES notation for 2-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]benzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-methylpyridine-3-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-6-methylpyridine-3-carboxamide;2,6-difluoro-N-[5-(6-formyl-1,3-benzodioxol-5-yl)-6-methyl-2-pyridinyl]benzamide?
The canonical SMILES for 2-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]benzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-methylpyridine-3-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-6-methylpyridine-3-carboxamide;2,6-difluoro-N-[5-(6-formyl-1,3-benzodioxol-5-yl)-6-methyl-2-pyridinyl]benzamide is Cc1ccc(C(=O)Nc2ccc(-c3cc4c(cc3Cl)OC(F)(F)O4)cn2)cn1.Cc1cncc(C(=O)Nc2ccc(-c3cc4c(cc3Cl)OC(F)(F)O4)cn2)c1.Cc1nc(NC(=O)c2c(F)cccc2F)ccc1-c1cc2c(cc1C=O)OCO2.O=C(Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)c1c(F)cccc1F.O=C(Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)c1ccccc1Cl.O=C(Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)c1ccccc1F.
What is the InChIKey of 2-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]benzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-methylpyridine-3-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-6-methylpyridine-3-carboxamide;2,6-difluoro-N-[5-(6-formyl-1,3-benzodioxol-5-yl)-6-methyl-2-pyridinyl]benzamide?
The InChIKey is FUZFYIPEWWNFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N2O4.2C19H12ClF2N3O3.C18H9Cl2F2N3O3.C18H8ClF4N3O3.C18H9ClF3N3O3/c1-11-13(14-8-18-17(28-10-29-18)7-12(14)9-26)5-6-19(24-11)25-21(27)20-15(22)3-2-4-16(20)23;1-10-4-12(8-23-7-10)18(26)25-17-3-2-11(9-24-17)13-5-15-16(6-14(13)20)28-19(21,22)27-15;1-10-2-3-12(9-23-10)18(26)25-17-5-4-11(8-24-17)13-6-15-16(7-14(13)20)28-19(21,22)27-15;19-11-4-2-1-3-9(11)17(26)25-16-8-23-13(7-24-16)10-5-14-15(6-12(10)20)28-18(21,22)27-14;19-9-5-14-13(28-18(22,23)29-14)4-8(9)12-6-25-15(7-24-12)26-17(27)16-10(20)2-1-3-11(16)21;19-11-6-15-14(27-18(21,22)28-15)5-10(11)13-7-24-16(8-23-13)25-17(26)9-3-1-2-4-12(9)20/h2-9H,10H2,1H3,(H,24,25,27);2*2-9H,1H3,(H,24,25,26);1-8H,(H,24,25,26);1-7H,(H,25,26,27);1-8H,(H,24,25,26).
What are the key properties of 2-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]benzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-methylpyridine-3-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-6-methylpyridine-3-carboxamide;2,6-difluoro-N-[5-(6-formyl-1,3-benzodioxol-5-yl)-6-methyl-2-pyridinyl]benzamide?
2-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]benzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-methylpyridine-3-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-6-methylpyridine-3-carboxamide;2,6-difluoro-N-[5-(6-formyl-1,3-benzodioxol-5-yl)-6-methyl-2-pyridinyl]benzamide has a molecular weight of 2461.54 g/mol, XLogP of 27.67, 19 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]benzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-methylpyridine-3-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-6-methylpyridine-3-carboxamide;2,6-difluoro-N-[5-(6-formyl-1,3-benzodioxol-5-yl)-6-methyl-2-pyridinyl]benzamide is sourced from PubChem (CID 158149961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158149961 — identifiers, structure, computed properties (public domain)
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