C153H177F11N8O26 — CID 160746035
N-[(2R)-5-[4-[difluoro-(3-fluorophenoxy)methyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide;N-[(2R)-5-[4-[difluoro-(3-fluorophenyl)methoxy]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide;N-[(2R)-5-[4-[(3-fluorophenoxy)methyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide;N-[(2R)-5-[4-[3-(3-fluorophenoxy)propyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide;N-[(2R)-5-[4-[(3-fluorophenyl)methoxymethyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide;N-[(2R)-5-[4-[[(3-fluorophenyl)methylamino]methyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide;N-[(2R)-5-[4-[3-(3-fluorophenyl)propyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide (PubChem CID 160746035) has the molecular formula C153H177F11N8O26 and a molecular weight of 2753.11 g/mol. Its IUPAC name is N-[(2R)-5-[4-[difluoro-(3-fluorophenoxy)methyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide;N-[(2R)-5-[4-[difluoro-(3-fluorophenyl)methoxy]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide;N-[(2R)-5-[4-[(3-fluorophenoxy)methyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide;N-[(2R)-5-[4-[3-(3-fluorophenoxy)propyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide;N-[(2R)-5-[4-[(3-fluorophenyl)methoxymethyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide;N-[(2R)-5-[4-[[(3-fluorophenyl)methylamino]methyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide;N-[(2R)-5-[4-[3-(3-fluorophenyl)propyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide.
| Compound Name | N-[(2R)-5-[4-[difluoro-(3-fluorophenoxy)methyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide;N-[(2R)-5-[4-[difluoro-(3-fluorophenyl)methoxy]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide;N-[(2R)-5-[4-[(3-fluorophenoxy)methyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide;N-[(2R)-5-[4-[3-(3-fluorophenoxy)propyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide;N-[(2R)-5-[4-[(3-fluorophenyl)methoxymethyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide;N-[(2R)-5-[4-[[(3-fluorophenyl)methylamino]methyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide;N-[(2R)-5-[4-[3-(3-fluorophenyl)propyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide |
|---|---|
| PubChem CID | 160746035 |
| Molecular Formula | C153H177F11N8O26 |
| Molecular Weight | 2753.11 g/mol |
| Exact Mass | 2751.26 |
| IUPAC Name | N-[(2R)-5-[4-[difluoro-(3-fluorophenoxy)methyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide;N-[(2R)-5-[4-[difluoro-(3-fluorophenyl)methoxy]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide;N-[(2R)-5-[4-[(3-fluorophenoxy)methyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide;N-[(2R)-5-[4-[3-(3-fluorophenoxy)propyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide;N-[(2R)-5-[4-[(3-fluorophenyl)methoxymethyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide;N-[(2R)-5-[4-[[(3-fluorophenyl)methylamino]methyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide;N-[(2R)-5-[4-[3-(3-fluorophenyl)propyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide |
| SMILES | COC[C@@H](NC(C)=O)C(=O)CCc1ccc(C(F)(F)Oc2cccc(F)c2)cc1.COC[C@@H](NC(C)=O)C(=O)CCc1ccc(CCCOc2cccc(F)c2)cc1.COC[C@@H](NC(C)=O)C(=O)CCc1ccc(CCCc2cccc(F)c2)cc1.COC[C@@H](NC(C)=O)C(=O)CCc1ccc(CNCc2cccc(F)c2)cc1.COC[C@@H](NC(C)=O)C(=O)CCc1ccc(COCc2cccc(F)c2)cc1.COC[C@@H](NC(C)=O)C(=O)CCc1ccc(COc2cccc(F)c2)cc1.COC[C@@H](NC(C)=O)C(=O)CCc1ccc(OC(F)(F)c2cccc(F)c2)cc1 |
| InChI | InChI=1S/C23H28FNO4.C23H28FNO3.C22H27FN2O3.C22H26FNO4.2C21H22F3NO4.C21H24FNO4/c1-17(26)25-22(16-28-2)23(27)13-12-19-10-8-18(9-11-19)5-4-14-29-21-7-3-6-20(24)15-21;1-17(26)25-22(16-28-2)23(27)14-13-19-11-9-18(10-12-19)5-3-6-20-7-4-8-21(24)15-20;1-16(26)25-21(15-28-2)22(27)11-10-17-6-8-18(9-7-17)13-24-14-19-4-3-5-20(23)12-19;1-16(25)24-21(15-27-2)22(26)11-10-17-6-8-18(9-7-17)13-28-14-19-4-3-5-20(23)12-19;1-14(26)25-19(13-28-2)20(27)11-8-15-6-9-16(10-7-15)21(23,24)29-18-5-3-4-17(22)12-18;1-14(26)25-19(13-28-2)20(27)11-8-15-6-9-18(10-7-15)29-21(23,24)16-4-3-5-17(22)12-16;1-15(24)23-20(14-26-2)21(25)11-10-16-6-8-17(9-7-16)13-27-19-5-3-4-18(22)12-19/h3,6-11,15,22H,4-5,12-14,16H2,1-2H3,(H,25,26);4,7-12,15,22H,3,5-6,13-14,16H2,1-2H3,(H,25,26);3-9,12,21,24H,10-11,13-15H2,1-2H3,(H,25,26);3-9,12,21H,10-11,13-15H2,1-2H3,(H,24,25);2*3-7,9-10,12,19H,8,11,13H2,1-2H3,(H,25,26);3-9,12,20H,10-11,13-14H2,1-2H3,(H,23,24)/t2*22-;2*21-;2*19-;20-/m1111111/s1 |
| InChIKey | RWEWMCHBBWCXLW-YSZZRJJOSA-N |
| XLogP | 23.38 |
| TPSA | 445.98 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 75 |
| Heavy Atoms | 198 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2753.11 |
| LogP ≤ 5 | 23.38 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 27 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
|---|