2-fluoro-N-[3-[5-(2-methoxyacetyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide

C23H21FN2O4 — CID 42785287

About 2-fluoro-N-[3-[5-(2-methoxyacetyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide

2-fluoro-N-[3-[5-(2-methoxyacetyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide (PubChem CID 42785287) has the molecular formula C23H21FN2O4 and a molecular weight of 408.43 g/mol. Its IUPAC name is 2-fluoro-N-[3-[5-(2-methoxyacetyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide.

Molecular Properties

• Compound Name: 2-fluoro-N-[3-[5-(2-methoxyacetyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide
• PubChem CID: 42785287
• Molecular Formula: C23H21FN2O4
• Molecular Weight: 408.43 g/mol
• Exact Mass: 408.15
• IUPAC Name: 2-fluoro-N-[3-[5-(2-methoxyacetyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide
• SMILES: COCC(=O)N1CCc2oc(-c3cccc(NC(=O)c4ccccc4F)c3)cc2C1
• InChI: InChI=1S/C23H21FN2O4/c1-29-14-22(27)26-10-9-20-16(13-26)12-21(30-20)15-5-4-6-17(11-15)25-23(28)18-7-2-3-8-19(18)24/h2-8,11-12H,9-10,13-14H2,1H3,(H,25,28)
• InChIKey: YGNUJFMXXAXXDE-UHFFFAOYSA-N
• XLogP: 3.87
• TPSA: 71.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.43
LogP ≤ 5	3.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-[5-(2-methoxyacetyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide?

The IUPAC name of 2-fluoro-N-[3-[5-(2-methoxyacetyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide (CID 42785287) is 2-fluoro-N-[3-[5-(2-methoxyacetyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide.

What is the SMILES notation for 2-fluoro-N-[3-[5-(2-methoxyacetyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide?

The canonical SMILES for 2-fluoro-N-[3-[5-(2-methoxyacetyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide is COCC(=O)N1CCc2oc(-c3cccc(NC(=O)c4ccccc4F)c3)cc2C1.

What is the InChIKey of 2-fluoro-N-[3-[5-(2-methoxyacetyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide?

The InChIKey is YGNUJFMXXAXXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O4/c1-29-14-22(27)26-10-9-20-16(13-26)12-21(30-20)15-5-4-6-17(11-15)25-23(28)18-7-2-3-8-19(18)24/h2-8,11-12H,9-10,13-14H2,1H3,(H,25,28).

What are the key properties of 2-fluoro-N-[3-[5-(2-methoxyacetyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide?

2-fluoro-N-[3-[5-(2-methoxyacetyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide has a molecular weight of 408.43 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-N-[3-[5-(2-methoxyacetyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide is sourced from PubChem (CID 42785287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).