C111H88F4N12O4 — CID 160783148
N-[5-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]-2-naphthalen-2-ylacetamide;N-[5-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]-2-phenylacetamide;N-[5-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]-4-phenylbutanamide;N-[5-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]-3-phenylpropanamide (PubChem CID 160783148) has the molecular formula C111H88F4N12O4 and a molecular weight of 1730.00 g/mol. Its IUPAC name is N-[5-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]-2-naphthalen-2-ylacetamide;N-[5-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]-2-phenylacetamide;N-[5-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]-4-phenylbutanamide;N-[5-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]-3-phenylpropanamide.
| Compound Name | N-[5-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]-2-naphthalen-2-ylacetamide;N-[5-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]-2-phenylacetamide;N-[5-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]-4-phenylbutanamide;N-[5-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]-3-phenylpropanamide |
|---|---|
| PubChem CID | 160783148 |
| Molecular Formula | C111H88F4N12O4 |
| Molecular Weight | 1730.00 g/mol |
| Exact Mass | 1728.70 |
| IUPAC Name | N-[5-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]-2-naphthalen-2-ylacetamide;N-[5-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]-2-phenylacetamide;N-[5-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]-4-phenylbutanamide;N-[5-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]-3-phenylpropanamide |
| SMILES | O=C(CCCc1ccccc1)Nc1ncc(-c2ccc(F)cc2)nc1/C=C/c1ccccc1.O=C(CCc1ccccc1)Nc1ncc(-c2ccc(F)cc2)nc1/C=C/c1ccccc1.O=C(Cc1ccc2ccccc2c1)Nc1ncc(-c2ccc(F)cc2)nc1/C=C/c1ccccc1.O=C(Cc1ccccc1)Nc1ncc(-c2ccc(F)cc2)nc1/C=C/c1ccccc1 |
| InChI | InChI=1S/C30H22FN3O.C28H24FN3O.C27H22FN3O.C26H20FN3O/c31-26-15-13-24(14-16-26)28-20-32-30(27(33-28)17-11-21-6-2-1-3-7-21)34-29(35)19-22-10-12-23-8-4-5-9-25(23)18-22;29-24-17-15-23(16-18-24)26-20-30-28(25(31-26)19-14-22-10-5-2-6-11-22)32-27(33)13-7-12-21-8-3-1-4-9-21;28-23-15-13-22(14-16-23)25-19-29-27(24(30-25)17-11-20-7-3-1-4-8-20)31-26(32)18-12-21-9-5-2-6-10-21;27-22-14-12-21(13-15-22)24-18-28-26(30-25(31)17-20-9-5-2-6-10-20)23(29-24)16-11-19-7-3-1-4-8-19/h1-18,20H,19H2,(H,32,34,35);1-6,8-11,14-20H,7,12-13H2,(H,30,32,33);1-11,13-17,19H,12,18H2,(H,29,31,32);1-16,18H,17H2,(H,28,30,31)/b17-11+;19-14+;17-11+;16-11+ |
| InChIKey | SAVRVETUCQYDJW-KXHRFNPISA-N |
| XLogP | 24.86 |
| TPSA | 219.52 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 131 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1730.00 |
| LogP ≤ 5 | 24.86 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 12 |