2-fluoro-N-[(E)-1-pyridin-2-ylethylideneamino]benzamide

C14H12FN3O — CID 5335659

IUPAC2-fluoro-N-[(E)-1-pyridin-2-ylethylideneamino]benzamide
SMILESC/C(=N\NC(=O)c1ccccc1F)c1ccccn1
InChIInChI=1S/C14H12FN3O/c1-10(13-8-4-5-9-16-13)17-18-14(19)11-6-2-3-7-12(11)15/h2-9H,1H3,(H,18,19)/b17-10+
InChIKeyHICWLIRXXOHZKD-LICLKQGHSA-N
MW257.27 g/mol
LogP2.37
Rot. Bonds3

About 2-fluoro-N-[(E)-1-pyridin-2-ylethylideneamino]benzamide

2-fluoro-N-[(E)-1-pyridin-2-ylethylideneamino]benzamide (PubChem CID 5335659) has the molecular formula C14H12FN3O and a molecular weight of 257.27 g/mol. Its IUPAC name is 2-fluoro-N-[(E)-1-pyridin-2-ylethylideneamino]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(E)-1-pyridin-2-ylethylideneamino]benzamide
PubChem CID5335659
Molecular FormulaC14H12FN3O
Molecular Weight257.27 g/mol
Exact Mass257.10
IUPAC Name2-fluoro-N-[(E)-1-pyridin-2-ylethylideneamino]benzamide
SMILESC/C(=N\NC(=O)c1ccccc1F)c1ccccn1
InChIInChI=1S/C14H12FN3O/c1-10(13-8-4-5-9-16-13)17-18-14(19)11-6-2-3-7-12(11)15/h2-9H,1H3,(H,18,19)/b17-10+
InChIKeyHICWLIRXXOHZKD-LICLKQGHSA-N
XLogP2.37
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 52.37
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)-1-pyridin-2-ylethylideneamino]benzamide?
The IUPAC name of 2-fluoro-N-[(E)-1-pyridin-2-ylethylideneamino]benzamide (CID 5335659) is 2-fluoro-N-[(E)-1-pyridin-2-ylethylideneamino]benzamide.
What is the SMILES notation for 2-fluoro-N-[(E)-1-pyridin-2-ylethylideneamino]benzamide?
The canonical SMILES for 2-fluoro-N-[(E)-1-pyridin-2-ylethylideneamino]benzamide is C/C(=N\NC(=O)c1ccccc1F)c1ccccn1.
What is the InChIKey of 2-fluoro-N-[(E)-1-pyridin-2-ylethylideneamino]benzamide?
The InChIKey is HICWLIRXXOHZKD-LICLKQGHSA-N. The full InChI is InChI=1S/C14H12FN3O/c1-10(13-8-4-5-9-16-13)17-18-14(19)11-6-2-3-7-12(11)15/h2-9H,1H3,(H,18,19)/b17-10+.
What are the key properties of 2-fluoro-N-[(E)-1-pyridin-2-ylethylideneamino]benzamide?
2-fluoro-N-[(E)-1-pyridin-2-ylethylideneamino]benzamide has a molecular weight of 257.27 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(E)-1-pyridin-2-ylethylideneamino]benzamide is sourced from PubChem (CID 5335659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).