N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]oxolane-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]acetamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]butanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclobutanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclohexanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methoxyacetamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]oxolane-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]prop-2-enamide
C129H97Cl8F16N17O27 — CID 157419049
Data last refreshed: (MolForge compound catalog, from PubChem)
About N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]oxolane-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]acetamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]butanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclobutanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclohexanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methoxyacetamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]oxolane-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]prop-2-enamide
N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]oxolane-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]acetamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]butanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclobutanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclohexanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methoxyacetamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]oxolane-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]prop-2-enamide (PubChem CID 157419049) has the molecular formula C129H97Cl8F16N17O27 and a molecular weight of 2904.88 g/mol. Its IUPAC name is N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]oxolane-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]acetamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]butanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclobutanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclohexanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methoxyacetamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]oxolane-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]prop-2-enamide.
Molecular Properties
| Compound Name | N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]oxolane-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]acetamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]butanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclobutanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclohexanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methoxyacetamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]oxolane-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]prop-2-enamide |
|---|---|
| PubChem CID | 157419049 |
| Molecular Formula | C129H97Cl8F16N17O27 |
| Molecular Weight | 2904.88 g/mol |
| Exact Mass | 2899.40 |
| IUPAC Name | N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]oxolane-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]acetamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]butanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclobutanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclohexanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methoxyacetamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]oxolane-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]prop-2-enamide |
| SMILES | C=CC(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.CC(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.CCCC(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.COCC(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)C1CCC1.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)C1CCCCC1.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)C1CCCO1.O=C(Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)C1CCCO1 |
| InChI | InChI=1S/C19H17ClF2N2O3.C17H13ClF2N2O4.C17H13ClF2N2O3.C16H12ClF2N3O4.C16H13ClF2N2O3.C15H11ClF2N2O4.C15H9ClF2N2O3.C14H9ClF2N2O3/c20-14-9-16-15(26-19(21,22)27-16)8-13(14)12-6-7-17(23-10-12)24-18(25)11-4-2-1-3-5-11;18-11-7-14-13(25-17(19,20)26-14)6-10(11)9-3-4-15(21-8-9)22-16(23)12-2-1-5-24-12;18-12-7-14-13(24-17(19,20)25-14)6-11(12)10-4-5-15(21-8-10)22-16(23)9-2-1-3-9;17-9-5-13-12(25-16(18,19)26-13)4-8(9)10-6-21-14(7-20-10)22-15(23)11-2-1-3-24-11;1-2-3-15(22)21-14-5-4-9(8-20-14)10-6-12-13(7-11(10)17)24-16(18,19)23-12;1-22-7-14(21)20-13-3-2-8(6-19-13)9-4-11-12(5-10(9)16)24-15(17,18)23-11;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;1-7(20)19-13-3-2-8(6-18-13)9-4-11-12(5-10(9)15)22-14(16,17)21-11/h6-11H,1-5H2,(H,23,24,25);3-4,6-8,12H,1-2,5H2,(H,21,22,23);4-9H,1-3H2,(H,21,22,23);4-7,11H,1-3H2,(H,21,22,23);4-8H,2-3H2,1H3,(H,20,21,22);2-6H,7H2,1H3,(H,19,20,21);2-7H,1H2,(H,19,20,21);2-6H,1H3,(H,18,19,20) |
| InChIKey | BPEPPABHPCJCLL-UHFFFAOYSA-N |
| XLogP | 32.08 |
| TPSA | 524.18 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 36 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 197 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2904.88 |
| LogP ≤ 5 | 32.08 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 36 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'} |
|---|
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Sources
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