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

C27H20F2N2O3 — CID 42785234

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

2-fluoro-N-[3-[5-(3-fluorobenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide (PubChem CID 42785234) has the molecular formula C27H20F2N2O3 and a molecular weight of 458.46 g/mol. Its IUPAC name is 2-fluoro-N-[3-[5-(3-fluorobenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide.

Molecular Properties

• Compound Name: 2-fluoro-N-[3-[5-(3-fluorobenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide
• PubChem CID: 42785234
• Molecular Formula: C27H20F2N2O3
• Molecular Weight: 458.46 g/mol
• Exact Mass: 458.14
• IUPAC Name: 2-fluoro-N-[3-[5-(3-fluorobenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide
• SMILES: O=C(Nc1cccc(-c2cc3c(o2)CCN(C(=O)c2cccc(F)c2)C3)c1)c1ccccc1F
• InChI: InChI=1S/C27H20F2N2O3/c28-20-7-3-6-18(13-20)27(33)31-12-11-24-19(16-31)15-25(34-24)17-5-4-8-21(14-17)30-26(32)22-9-1-2-10-23(22)29/h1-10,13-15H,11-12,16H2,(H,30,32)
• InChIKey: YNRFAXZTLGCBTO-UHFFFAOYSA-N
• XLogP: 5.68
• TPSA: 62.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.46
LogP ≤ 5	5.68
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-fluorobenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide?

The IUPAC name of 2-fluoro-N-[3-[5-(3-fluorobenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide (CID 42785234) is 2-fluoro-N-[3-[5-(3-fluorobenzoyl)-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-fluorobenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide?

The canonical SMILES for 2-fluoro-N-[3-[5-(3-fluorobenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide is O=C(Nc1cccc(-c2cc3c(o2)CCN(C(=O)c2cccc(F)c2)C3)c1)c1ccccc1F.

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

The InChIKey is YNRFAXZTLGCBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F2N2O3/c28-20-7-3-6-18(13-20)27(33)31-12-11-24-19(16-31)15-25(34-24)17-5-4-8-21(14-17)30-26(32)22-9-1-2-10-23(22)29/h1-10,13-15H,11-12,16H2,(H,30,32).

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

2-fluoro-N-[3-[5-(3-fluorobenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide has a molecular weight of 458.46 g/mol, XLogP of 5.68, 4 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-fluorobenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide is sourced from PubChem (CID 42785234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).