C154H132FN5O11 — CID 161270016
1-[2-(3-fluorophenyl)cyclopropyl]-2-naphthalen-2-ylethanone;1-[2-(3-methoxyphenyl)cyclopropyl]-2-naphthalen-2-ylethanone;methyl 3-[2-(2-naphthalen-2-ylacetyl)cyclopropyl]benzoate;3-[2-(2-naphthalen-2-ylacetyl)cyclopropyl]-N-(pyridin-4-ylmethyl)benzamide;2-naphthalen-2-yl-1-(2-pyridin-2-ylcyclopropyl)ethanone;2-naphthalen-2-yl-1-(2-pyridin-3-ylcyclopropyl)ethanone;2-naphthalen-2-yl-1-(2-pyridin-4-ylcyclopropyl)ethanone (PubChem CID 161270016) has the molecular formula C154H132FN5O11 and a molecular weight of 2247.77 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)cyclopropyl]-2-naphthalen-2-ylethanone;1-[2-(3-methoxyphenyl)cyclopropyl]-2-naphthalen-2-ylethanone;methyl 3-[2-(2-naphthalen-2-ylacetyl)cyclopropyl]benzoate;3-[2-(2-naphthalen-2-ylacetyl)cyclopropyl]-N-(pyridin-4-ylmethyl)benzamide;2-naphthalen-2-yl-1-(2-pyridin-2-ylcyclopropyl)ethanone;2-naphthalen-2-yl-1-(2-pyridin-3-ylcyclopropyl)ethanone;2-naphthalen-2-yl-1-(2-pyridin-4-ylcyclopropyl)ethanone.
| Compound Name | 1-[2-(3-fluorophenyl)cyclopropyl]-2-naphthalen-2-ylethanone;1-[2-(3-methoxyphenyl)cyclopropyl]-2-naphthalen-2-ylethanone;methyl 3-[2-(2-naphthalen-2-ylacetyl)cyclopropyl]benzoate;3-[2-(2-naphthalen-2-ylacetyl)cyclopropyl]-N-(pyridin-4-ylmethyl)benzamide;2-naphthalen-2-yl-1-(2-pyridin-2-ylcyclopropyl)ethanone;2-naphthalen-2-yl-1-(2-pyridin-3-ylcyclopropyl)ethanone;2-naphthalen-2-yl-1-(2-pyridin-4-ylcyclopropyl)ethanone |
|---|---|
| PubChem CID | 161270016 |
| Molecular Formula | C154H132FN5O11 |
| Molecular Weight | 2247.77 g/mol |
| Exact Mass | 2245.99 |
| IUPAC Name | 1-[2-(3-fluorophenyl)cyclopropyl]-2-naphthalen-2-ylethanone;1-[2-(3-methoxyphenyl)cyclopropyl]-2-naphthalen-2-ylethanone;methyl 3-[2-(2-naphthalen-2-ylacetyl)cyclopropyl]benzoate;3-[2-(2-naphthalen-2-ylacetyl)cyclopropyl]-N-(pyridin-4-ylmethyl)benzamide;2-naphthalen-2-yl-1-(2-pyridin-2-ylcyclopropyl)ethanone;2-naphthalen-2-yl-1-(2-pyridin-3-ylcyclopropyl)ethanone;2-naphthalen-2-yl-1-(2-pyridin-4-ylcyclopropyl)ethanone |
| SMILES | COC(=O)c1cccc(C2CC2C(=O)Cc2ccc3ccccc3c2)c1.COc1cccc(C2CC2C(=O)Cc2ccc3ccccc3c2)c1.O=C(Cc1ccc2ccccc2c1)C1CC1c1cccc(F)c1.O=C(Cc1ccc2ccccc2c1)C1CC1c1ccccn1.O=C(Cc1ccc2ccccc2c1)C1CC1c1cccnc1.O=C(Cc1ccc2ccccc2c1)C1CC1c1ccncc1.O=C(NCc1ccncc1)c1cccc(C2CC2C(=O)Cc2ccc3ccccc3c2)c1 |
| InChI | InChI=1S/C28H24N2O2.C23H20O3.C22H20O2.C21H17FO.3C20H17NO/c31-27(15-20-8-9-21-4-1-2-5-22(21)14-20)26-17-25(26)23-6-3-7-24(16-23)28(32)30-18-19-10-12-29-13-11-19;1-26-23(25)19-8-4-7-18(13-19)20-14-21(20)22(24)12-15-9-10-16-5-2-3-6-17(16)11-15;1-24-19-8-4-7-18(13-19)20-14-21(20)22(23)12-15-9-10-16-5-2-3-6-17(16)11-15;22-18-7-3-6-17(12-18)19-13-20(19)21(23)11-14-8-9-15-4-1-2-5-16(15)10-14;22-20(18-13-17(18)19-7-3-4-10-21-19)12-14-8-9-15-5-1-2-6-16(15)11-14;22-20(19-12-18(19)17-6-3-9-21-13-17)11-14-7-8-15-4-1-2-5-16(15)10-14;22-20(19-13-18(19)16-7-9-21-10-8-16)12-14-5-6-15-3-1-2-4-17(15)11-14/h1-14,16,25-26H,15,17-18H2,(H,30,32);2-11,13,20-21H,12,14H2,1H3;2-11,13,20-21H,12,14H2,1H3;1-10,12,19-20H,11,13H2;1-11,17-18H,12-13H2;1-10,13,18-19H,11-12H2;1-11,18-19H,12-13H2 |
| InChIKey | VDRMRPWLRANDJV-UHFFFAOYSA-N |
| XLogP | 31.73 |
| TPSA | 235.68 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 33 |
| Heavy Atoms | 171 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2247.77 |
| LogP ≤ 5 | 31.73 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 15 |