2-fluoro-N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]benzamide

C19H15FN2O2 — CID 6907975

IUPAC2-fluoro-N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]benzamide
SMILESCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccccc1F
InChIInChI=1S/C19H15FN2O2/c1-24-18-11-10-13-6-2-3-7-14(13)16(18)12-21-22-19(23)15-8-4-5-9-17(15)20/h2-12H,1H3,(H,22,23)/b21-12+
InChIKeyJYZQTWTULISOJI-CIAFOILYSA-N
MW322.34 g/mol
LogP3.75
Rot. Bonds4

About 2-fluoro-N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]benzamide

2-fluoro-N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]benzamide (PubChem CID 6907975) has the molecular formula C19H15FN2O2 and a molecular weight of 322.34 g/mol. Its IUPAC name is 2-fluoro-N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]benzamide
PubChem CID6907975
Molecular FormulaC19H15FN2O2
Molecular Weight322.34 g/mol
Exact Mass322.11
IUPAC Name2-fluoro-N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]benzamide
SMILESCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccccc1F
InChIInChI=1S/C19H15FN2O2/c1-24-18-11-10-13-6-2-3-7-14(13)16(18)12-21-22-19(23)15-8-4-5-9-17(15)20/h2-12H,1H3,(H,22,23)/b21-12+
InChIKeyJYZQTWTULISOJI-CIAFOILYSA-N
XLogP3.75
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-fluoro-N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]benzamide?
The IUPAC name of 2-fluoro-N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]benzamide (CID 6907975) is 2-fluoro-N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]benzamide.
What is the SMILES notation for 2-fluoro-N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]benzamide?
The canonical SMILES for 2-fluoro-N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]benzamide is COc1ccc2ccccc2c1/C=N/NC(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]benzamide?
The InChIKey is JYZQTWTULISOJI-CIAFOILYSA-N. The full InChI is InChI=1S/C19H15FN2O2/c1-24-18-11-10-13-6-2-3-7-14(13)16(18)12-21-22-19(23)15-8-4-5-9-17(15)20/h2-12H,1H3,(H,22,23)/b21-12+.
What are the key properties of 2-fluoro-N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]benzamide?
2-fluoro-N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]benzamide has a molecular weight of 322.34 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]benzamide is sourced from PubChem (CID 6907975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).