3-fluoro-N-[2-oxo-2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]ethyl]benzamide

C15H13FN4O2 — CID 6881635

IUPAC3-fluoro-N-[2-oxo-2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]ethyl]benzamide
SMILESO=C(CNC(=O)c1cccc(F)c1)N/N=C/c1cccnc1
InChIInChI=1S/C15H13FN4O2/c16-13-5-1-4-12(7-13)15(22)18-10-14(21)20-19-9-11-3-2-6-17-8-11/h1-9H,10H2,(H,18,22)(H,20,21)/b19-9+
InChIKeyFPBVKSCONITDFD-DJKKODMXSA-N
MW300.29 g/mol
LogP1.10
Rot. Bonds5

About 3-fluoro-N-[2-oxo-2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]ethyl]benzamide

3-fluoro-N-[2-oxo-2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]ethyl]benzamide (PubChem CID 6881635) has the molecular formula C15H13FN4O2 and a molecular weight of 300.29 g/mol. Its IUPAC name is 3-fluoro-N-[2-oxo-2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]ethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-oxo-2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]ethyl]benzamide
PubChem CID6881635
Molecular FormulaC15H13FN4O2
Molecular Weight300.29 g/mol
Exact Mass300.10
IUPAC Name3-fluoro-N-[2-oxo-2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]ethyl]benzamide
SMILESO=C(CNC(=O)c1cccc(F)c1)N/N=C/c1cccnc1
InChIInChI=1S/C15H13FN4O2/c16-13-5-1-4-12(7-13)15(22)18-10-14(21)20-19-9-11-3-2-6-17-8-11/h1-9H,10H2,(H,18,22)(H,20,21)/b19-9+
InChIKeyFPBVKSCONITDFD-DJKKODMXSA-N
XLogP1.10
TPSA83.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 3-fluoro-N-[2-oxo-2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]ethyl]benzamide?
The IUPAC name of 3-fluoro-N-[2-oxo-2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]ethyl]benzamide (CID 6881635) is 3-fluoro-N-[2-oxo-2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]ethyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-oxo-2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]ethyl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-oxo-2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]ethyl]benzamide is O=C(CNC(=O)c1cccc(F)c1)N/N=C/c1cccnc1.
What is the InChIKey of 3-fluoro-N-[2-oxo-2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]ethyl]benzamide?
The InChIKey is FPBVKSCONITDFD-DJKKODMXSA-N. The full InChI is InChI=1S/C15H13FN4O2/c16-13-5-1-4-12(7-13)15(22)18-10-14(21)20-19-9-11-3-2-6-17-8-11/h1-9H,10H2,(H,18,22)(H,20,21)/b19-9+.
What are the key properties of 3-fluoro-N-[2-oxo-2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]ethyl]benzamide?
3-fluoro-N-[2-oxo-2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]ethyl]benzamide has a molecular weight of 300.29 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-oxo-2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]ethyl]benzamide is sourced from PubChem (CID 6881635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).