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

C24H23FN2O3 — CID 42784002

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

4-fluoro-N-[3-[5-(2-methylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide (PubChem CID 42784002) has the molecular formula C24H23FN2O3 and a molecular weight of 406.46 g/mol. Its IUPAC name is 4-fluoro-N-[3-[5-(2-methylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide.

Molecular Properties

• Compound Name: 4-fluoro-N-[3-[5-(2-methylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide
• PubChem CID: 42784002
• Molecular Formula: C24H23FN2O3
• Molecular Weight: 406.46 g/mol
• Exact Mass: 406.17
• IUPAC Name: 4-fluoro-N-[3-[5-(2-methylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide
• SMILES: CC(C)C(=O)N1CCc2oc(-c3cccc(NC(=O)c4ccc(F)cc4)c3)cc2C1
• InChI: InChI=1S/C24H23FN2O3/c1-15(2)24(29)27-11-10-21-18(14-27)13-22(30-21)17-4-3-5-20(12-17)26-23(28)16-6-8-19(25)9-7-16/h3-9,12-13,15H,10-11,14H2,1-2H3,(H,26,28)
• InChIKey: AWPHYTXJKVCBPL-UHFFFAOYSA-N
• XLogP: 4.88
• TPSA: 62.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.46
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 4-fluoro-N-[3-[5-(2-methylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide (CID 42784002) is 4-fluoro-N-[3-[5-(2-methylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide.

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

The canonical SMILES for 4-fluoro-N-[3-[5-(2-methylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide is CC(C)C(=O)N1CCc2oc(-c3cccc(NC(=O)c4ccc(F)cc4)c3)cc2C1.

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

The InChIKey is AWPHYTXJKVCBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O3/c1-15(2)24(29)27-11-10-21-18(14-27)13-22(30-21)17-4-3-5-20(12-17)26-23(28)16-6-8-19(25)9-7-16/h3-9,12-13,15H,10-11,14H2,1-2H3,(H,26,28).

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

4-fluoro-N-[3-[5-(2-methylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide has a molecular weight of 406.46 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-N-[3-[5-(2-methylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide is sourced from PubChem (CID 42784002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).