4-fluoro-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]benzamide

C15H14FN3O2 — CID 2530249

IUPAC4-fluoro-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(F)cc1)NCc1ccccn1
InChIInChI=1S/C15H14FN3O2/c16-12-6-4-11(5-7-12)15(21)19-10-14(20)18-9-13-3-1-2-8-17-13/h1-8H,9-10H2,(H,18,20)(H,19,21)
InChIKeyKNMZPPVFWMGFCC-UHFFFAOYSA-N
MW287.29 g/mol
LogP1.27
Rot. Bonds5

About 4-fluoro-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]benzamide

4-fluoro-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]benzamide (PubChem CID 2530249) has the molecular formula C15H14FN3O2 and a molecular weight of 287.29 g/mol. Its IUPAC name is 4-fluoro-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]benzamide
PubChem CID2530249
Molecular FormulaC15H14FN3O2
Molecular Weight287.29 g/mol
Exact Mass287.11
IUPAC Name4-fluoro-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(F)cc1)NCc1ccccn1
InChIInChI=1S/C15H14FN3O2/c16-12-6-4-11(5-7-12)15(21)19-10-14(20)18-9-13-3-1-2-8-17-13/h1-8H,9-10H2,(H,18,20)(H,19,21)
InChIKeyKNMZPPVFWMGFCC-UHFFFAOYSA-N
XLogP1.27
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]benzamide (CID 2530249) is 4-fluoro-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]benzamide is O=C(CNC(=O)c1ccc(F)cc1)NCc1ccccn1.
What is the InChIKey of 4-fluoro-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]benzamide?
The InChIKey is KNMZPPVFWMGFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2/c16-12-6-4-11(5-7-12)15(21)19-10-14(20)18-9-13-3-1-2-8-17-13/h1-8H,9-10H2,(H,18,20)(H,19,21).
What are the key properties of 4-fluoro-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]benzamide?
4-fluoro-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]benzamide has a molecular weight of 287.29 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]benzamide is sourced from PubChem (CID 2530249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).