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

C24H23FN2O3 — CID 3568013

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

N-[4-[5-(4-fluorobenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2-methylpropanamide (PubChem CID 3568013) has the molecular formula C24H23FN2O3 and a molecular weight of 406.46 g/mol. Its IUPAC name is N-[4-[5-(4-fluorobenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2-methylpropanamide.

Molecular Properties

• Compound Name: N-[4-[5-(4-fluorobenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2-methylpropanamide
• PubChem CID: 3568013
• Molecular Formula: C24H23FN2O3
• Molecular Weight: 406.46 g/mol
• Exact Mass: 406.17
• IUPAC Name: N-[4-[5-(4-fluorobenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2-methylpropanamide
• SMILES: CC(C)C(=O)Nc1ccc(-c2cc3c(o2)CCN(C(=O)c2ccc(F)cc2)C3)cc1
• InChI: InChI=1S/C24H23FN2O3/c1-15(2)23(28)26-20-9-5-16(6-10-20)22-13-18-14-27(12-11-21(18)30-22)24(29)17-3-7-19(25)8-4-17/h3-10,13,15H,11-12,14H2,1-2H3,(H,26,28)
• InChIKey: CNBDDVVJPCRIRK-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 N-[4-[5-(4-fluorobenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2-methylpropanamide?

The IUPAC name of N-[4-[5-(4-fluorobenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2-methylpropanamide (CID 3568013) is N-[4-[5-(4-fluorobenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2-methylpropanamide.

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

The canonical SMILES for N-[4-[5-(4-fluorobenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc(-c2cc3c(o2)CCN(C(=O)c2ccc(F)cc2)C3)cc1.

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

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

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

N-[4-[5-(4-fluorobenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2-methylpropanamide 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 N-[4-[5-(4-fluorobenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 3568013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).