C15H14FNO3 — CID 91681635
(NZ)-N-[[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]methylidene]hydroxylamine (PubChem CID 91681635) has the molecular formula C15H14FNO3 and a molecular weight of 275.28 g/mol. Its IUPAC name is (NZ)-N-[[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]methylidene]hydroxylamine.
| Compound Name | (NZ)-N-[[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]methylidene]hydroxylamine |
|---|---|
| PubChem CID | 91681635 |
| Molecular Formula | C15H14FNO3 |
| Molecular Weight | 275.28 g/mol |
| Exact Mass | 275.10 |
| IUPAC Name | (NZ)-N-[[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]methylidene]hydroxylamine |
| SMILES | COc1ccc(/C=N\O)cc1OCc1ccc(F)cc1 |
| InChI | InChI=1S/C15H14FNO3/c1-19-14-7-4-12(9-17-18)8-15(14)20-10-11-2-5-13(16)6-3-11/h2-9,18H,10H2,1H3/b17-9- |
| InChIKey | VXNIMIMACUDAPW-MFOYZWKCSA-N |
| XLogP | 3.22 |
| TPSA | 51.05 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 20 |
| Complexity | — |
Passes Rule of Five
| Rule | Value |
|---|---|
| MW ≤ 500 | 275.28 |
| LogP ≤ 5 | 3.22 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 4 |
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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