C146H185F3N12O6 — CID 161444610
N-[(3S)-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]bicyclo[2.2.1]hepta-2,5-diene-7-carboxamide;N-[(3S)-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-N-methyladamantane-1-carboxamide;N-[1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-N-phenyladamantane-1-carboxamide;N-methyl-N-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]adamantane-1-carboxamide;N-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]bicyclo[2.2.1]hepta-2,5-diene-7-carboxamide;N-phenyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]adamantane-1-carboxamide (PubChem CID 161444610) has the molecular formula C146H185F3N12O6 and a molecular weight of 2261.16 g/mol. Its IUPAC name is N-[(3S)-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]bicyclo[2.2.1]hepta-2,5-diene-7-carboxamide;N-[(3S)-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-N-methyladamantane-1-carboxamide;N-[1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-N-phenyladamantane-1-carboxamide;N-methyl-N-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]adamantane-1-carboxamide;N-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]bicyclo[2.2.1]hepta-2,5-diene-7-carboxamide;N-phenyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]adamantane-1-carboxamide.
| Compound Name | N-[(3S)-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]bicyclo[2.2.1]hepta-2,5-diene-7-carboxamide;N-[(3S)-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-N-methyladamantane-1-carboxamide;N-[1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-N-phenyladamantane-1-carboxamide;N-methyl-N-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]adamantane-1-carboxamide;N-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]bicyclo[2.2.1]hepta-2,5-diene-7-carboxamide;N-phenyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]adamantane-1-carboxamide |
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| PubChem CID | 161444610 |
| Molecular Formula | C146H185F3N12O6 |
| Molecular Weight | 2261.16 g/mol |
| Exact Mass | 2259.45 |
| IUPAC Name | N-[(3S)-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]bicyclo[2.2.1]hepta-2,5-diene-7-carboxamide;N-[(3S)-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-N-methyladamantane-1-carboxamide;N-[1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-N-phenyladamantane-1-carboxamide;N-methyl-N-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]adamantane-1-carboxamide;N-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]bicyclo[2.2.1]hepta-2,5-diene-7-carboxamide;N-phenyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]adamantane-1-carboxamide |
| SMILES | CN(C(=O)C12CC3CC(CC(C3)C1)C2)[C@H]1CCN(CCc2ccc(F)cc2)C1.CN(C(=O)C12CC3CC(CC(C3)C1)C2)[C@H]1CCN(CCc2ccccc2)C1.O=C(N(c1ccccc1)C1CCN(CCc2ccc(F)cc2)C1)C12CC3CC(CC(C3)C1)C2.O=C(N(c1ccccc1)C1CCN(CCc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2.O=C(N[C@H]1CCN(CCc2ccc(F)cc2)C1)C1C2C=CC1C=C2.O=C(N[C@H]1CCN(CCc2ccccc2)C1)C1C2C=CC1C=C2 |
| InChI | InChI=1S/C29H35FN2O.C29H36N2O.C24H33FN2O.C24H34N2O.C20H23FN2O.C20H24N2O/c30-25-8-6-21(7-9-25)10-12-31-13-11-27(20-31)32(26-4-2-1-3-5-26)28(33)29-17-22-14-23(18-29)16-24(15-22)19-29;32-28(29-18-23-15-24(19-29)17-25(16-23)20-29)31(26-9-5-2-6-10-26)27-12-14-30(21-27)13-11-22-7-3-1-4-8-22;1-26(23(28)24-13-18-10-19(14-24)12-20(11-18)15-24)22-7-9-27(16-22)8-6-17-2-4-21(25)5-3-17;1-25(22-8-10-26(17-22)9-7-18-5-3-2-4-6-18)23(27)24-14-19-11-20(15-24)13-21(12-19)16-24;21-17-7-1-14(2-8-17)9-11-23-12-10-18(13-23)22-20(24)19-15-3-4-16(19)6-5-15;23-20(19-16-6-7-17(19)9-8-16)21-18-11-13-22(14-18)12-10-15-4-2-1-3-5-15/h1-9,22-24,27H,10-20H2;1-10,23-25,27H,11-21H2;2-5,18-20,22H,6-16H2,1H3;2-6,19-22H,7-17H2,1H3;1-8,15-16,18-19H,9-13H2,(H,22,24);1-9,16-19H,10-14H2,(H,21,23)/t;;18?,19?,20?,22-,24?;19?,20?,21?,22-,24?;15?,16?,18-,19?;16?,17?,18-,19?/m..0000/s1 |
| InChIKey | VZSPNYQWJAYKQP-MTHZGVLLSA-N |
| XLogP | 24.30 |
| TPSA | 158.88 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 167 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2261.16 |
| LogP ≤ 5 | 24.30 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 12 |
| Structural Alerts | {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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