2-fluoro-N-[3-methyl-1-oxo-1-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylamino]butan-2-yl]benzamide

C26H28FN3O3 — CID 55901739

About 2-fluoro-N-[3-methyl-1-oxo-1-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylamino]butan-2-yl]benzamide

2-fluoro-N-[3-methyl-1-oxo-1-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylamino]butan-2-yl]benzamide (PubChem CID 55901739) has the molecular formula C26H28FN3O3 and a molecular weight of 449.53 g/mol. Its IUPAC name is 2-fluoro-N-[3-methyl-1-oxo-1-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylamino]butan-2-yl]benzamide.

Molecular Properties

• Compound Name: 2-fluoro-N-[3-methyl-1-oxo-1-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylamino]butan-2-yl]benzamide
• PubChem CID: 55901739
• Molecular Formula: C26H28FN3O3
• Molecular Weight: 449.53 g/mol
• Exact Mass: 449.21
• IUPAC Name: 2-fluoro-N-[3-methyl-1-oxo-1-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylamino]butan-2-yl]benzamide
• SMILES: CC(NC(=O)C(NC(=O)c1ccccc1F)C(C)C)c1cccc(OCc2ccccn2)c1
• InChI: InChI=1S/C26H28FN3O3/c1-17(2)24(30-25(31)22-12-4-5-13-23(22)27)26(32)29-18(3)19-9-8-11-21(15-19)33-16-20-10-6-7-14-28-20/h4-15,17-18,24H,16H2,1-3H3,(H,29,32)(H,30,31)
• InChIKey: YLTZQDUADIPMMQ-UHFFFAOYSA-N
• XLogP: 4.43
• TPSA: 80.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.53
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-methyl-1-oxo-1-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylamino]butan-2-yl]benzamide?

The IUPAC name of 2-fluoro-N-[3-methyl-1-oxo-1-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylamino]butan-2-yl]benzamide (CID 55901739) is 2-fluoro-N-[3-methyl-1-oxo-1-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylamino]butan-2-yl]benzamide.

What is the SMILES notation for 2-fluoro-N-[3-methyl-1-oxo-1-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylamino]butan-2-yl]benzamide?

The canonical SMILES for 2-fluoro-N-[3-methyl-1-oxo-1-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylamino]butan-2-yl]benzamide is CC(NC(=O)C(NC(=O)c1ccccc1F)C(C)C)c1cccc(OCc2ccccn2)c1.

What is the InChIKey of 2-fluoro-N-[3-methyl-1-oxo-1-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylamino]butan-2-yl]benzamide?

The InChIKey is YLTZQDUADIPMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O3/c1-17(2)24(30-25(31)22-12-4-5-13-23(22)27)26(32)29-18(3)19-9-8-11-21(15-19)33-16-20-10-6-7-14-28-20/h4-15,17-18,24H,16H2,1-3H3,(H,29,32)(H,30,31).

What are the key properties of 2-fluoro-N-[3-methyl-1-oxo-1-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylamino]butan-2-yl]benzamide?

2-fluoro-N-[3-methyl-1-oxo-1-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylamino]butan-2-yl]benzamide has a molecular weight of 449.53 g/mol, XLogP of 4.43, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-N-[3-methyl-1-oxo-1-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylamino]butan-2-yl]benzamide is sourced from PubChem (CID 55901739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).