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

C25H25FN2O3 — CID 42783986

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

N-[3-[5-(4-fluorobenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2,2-dimethylpropanamide (PubChem CID 42783986) has the molecular formula C25H25FN2O3 and a molecular weight of 420.48 g/mol. Its IUPAC name is N-[3-[5-(4-fluorobenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

• Compound Name: N-[3-[5-(4-fluorobenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2,2-dimethylpropanamide
• PubChem CID: 42783986
• Molecular Formula: C25H25FN2O3
• Molecular Weight: 420.48 g/mol
• Exact Mass: 420.18
• IUPAC Name: N-[3-[5-(4-fluorobenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2,2-dimethylpropanamide
• SMILES: CC(C)(C)C(=O)Nc1cccc(-c2cc3c(o2)CCN(C(=O)c2ccc(F)cc2)C3)c1
• InChI: InChI=1S/C25H25FN2O3/c1-25(2,3)24(30)27-20-6-4-5-17(13-20)22-14-18-15-28(12-11-21(18)31-22)23(29)16-7-9-19(26)10-8-16/h4-10,13-14H,11-12,15H2,1-3H3,(H,27,30)
• InChIKey: BJSGHVBXQPUOFO-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 62.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• 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 N-[3-[5-(4-fluorobenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2,2-dimethylpropanamide?

The IUPAC name of N-[3-[5-(4-fluorobenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2,2-dimethylpropanamide (CID 42783986) is N-[3-[5-(4-fluorobenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2,2-dimethylpropanamide.

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

The canonical SMILES for N-[3-[5-(4-fluorobenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1cccc(-c2cc3c(o2)CCN(C(=O)c2ccc(F)cc2)C3)c1.

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

The InChIKey is BJSGHVBXQPUOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O3/c1-25(2,3)24(30)27-20-6-4-5-17(13-20)22-14-18-15-28(12-11-21(18)31-22)23(29)16-7-9-19(26)10-8-16/h4-10,13-14H,11-12,15H2,1-3H3,(H,27,30).

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

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

Where does this data come from?

All data for N-[3-[5-(4-fluorobenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 42783986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).