About N-[(2-fluorophenyl)methylideneamino]-2-hydroxybenzamide
N-[(2-fluorophenyl)methylideneamino]-2-hydroxybenzamide (PubChem CID 674709) has the molecular formula C14H11FN2O2
and a molecular weight of 258.25 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methylideneamino]-2-hydroxybenzamide.
Molecular Properties
| Compound Name | N-[(2-fluorophenyl)methylideneamino]-2-hydroxybenzamide |
| PubChem CID | 674709 |
| Molecular Formula | C14H11FN2O2 |
| Molecular Weight | 258.25 g/mol |
| Exact Mass | 258.08 |
| IUPAC Name | N-[(2-fluorophenyl)methylideneamino]-2-hydroxybenzamide |
| SMILES | O=C(NN=Cc1ccccc1F)c1ccccc1O |
| InChI | InChI=1S/C14H11FN2O2/c15-12-7-3-1-5-10(12)9-16-17-14(19)11-6-2-4-8-13(11)18/h1-9,18H,(H,17,19) |
| InChIKey | CTTSDRHWBYEZLM-UHFFFAOYSA-N |
| XLogP | 2.30 |
| TPSA | 61.69 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 19 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 258.25 |
| LogP ≤ 5 | 2.30 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-[(2-fluorophenyl)methylideneamino]-2-hydroxybenzamide?
The IUPAC name of N-[(2-fluorophenyl)methylideneamino]-2-hydroxybenzamide (CID 674709) is N-[(2-fluorophenyl)methylideneamino]-2-hydroxybenzamide.
What is the SMILES notation for N-[(2-fluorophenyl)methylideneamino]-2-hydroxybenzamide?
The canonical SMILES for N-[(2-fluorophenyl)methylideneamino]-2-hydroxybenzamide is O=C(NN=Cc1ccccc1F)c1ccccc1O.
What is the InChIKey of N-[(2-fluorophenyl)methylideneamino]-2-hydroxybenzamide?
The InChIKey is CTTSDRHWBYEZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O2/c15-12-7-3-1-5-10(12)9-16-17-14(19)11-6-2-4-8-13(11)18/h1-9,18H,(H,17,19).
What are the key properties of N-[(2-fluorophenyl)methylideneamino]-2-hydroxybenzamide?
N-[(2-fluorophenyl)methylideneamino]-2-hydroxybenzamide has a molecular weight of 258.25 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methylideneamino]-2-hydroxybenzamide is sourced from PubChem (CID 674709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).