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

C25H25FN2O3 — CID 5062072

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

2-fluoro-N-[3-[5-(3-methylbutanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide (PubChem CID 5062072) has the molecular formula C25H25FN2O3 and a molecular weight of 420.48 g/mol. Its IUPAC name is 2-fluoro-N-[3-[5-(3-methylbutanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide.

Molecular Properties

• Compound Name: 2-fluoro-N-[3-[5-(3-methylbutanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide
• PubChem CID: 5062072
• Molecular Formula: C25H25FN2O3
• Molecular Weight: 420.48 g/mol
• Exact Mass: 420.18
• IUPAC Name: 2-fluoro-N-[3-[5-(3-methylbutanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide
• SMILES: CC(C)CC(=O)N1CCc2oc(-c3cccc(NC(=O)c4ccccc4F)c3)cc2C1
• InChI: InChI=1S/C25H25FN2O3/c1-16(2)12-24(29)28-11-10-22-18(15-28)14-23(31-22)17-6-5-7-19(13-17)27-25(30)20-8-3-4-9-21(20)26/h3-9,13-14,16H,10-12,15H2,1-2H3,(H,27,30)
• InChIKey: MNFNDRRFVVZBJT-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 62.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	420.48
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 2-fluoro-N-[3-[5-(3-methylbutanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide (CID 5062072) is 2-fluoro-N-[3-[5-(3-methylbutanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide.

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

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

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

The InChIKey is MNFNDRRFVVZBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O3/c1-16(2)12-24(29)28-11-10-22-18(15-28)14-23(31-22)17-6-5-7-19(13-17)27-25(30)20-8-3-4-9-21(20)26/h3-9,13-14,16H,10-12,15H2,1-2H3,(H,27,30).

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

2-fluoro-N-[3-[5-(3-methylbutanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide has a molecular weight of 420.48 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-N-[3-[5-(3-methylbutanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide is sourced from PubChem (CID 5062072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).