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

C28H23FN2O4 — CID 42785137

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

3-fluoro-N-[4-[5-(3-methoxybenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide (PubChem CID 42785137) has the molecular formula C28H23FN2O4 and a molecular weight of 470.50 g/mol. Its IUPAC name is 3-fluoro-N-[4-[5-(3-methoxybenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide.

Molecular Properties

• Compound Name: 3-fluoro-N-[4-[5-(3-methoxybenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide
• PubChem CID: 42785137
• Molecular Formula: C28H23FN2O4
• Molecular Weight: 470.50 g/mol
• Exact Mass: 470.16
• IUPAC Name: 3-fluoro-N-[4-[5-(3-methoxybenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide
• SMILES: COc1cccc(C(=O)N2CCc3oc(-c4ccc(NC(=O)c5cccc(F)c5)cc4)cc3C2)c1
• InChI: InChI=1S/C28H23FN2O4/c1-34-24-7-3-5-20(15-24)28(33)31-13-12-25-21(17-31)16-26(35-25)18-8-10-23(11-9-18)30-27(32)19-4-2-6-22(29)14-19/h2-11,14-16H,12-13,17H2,1H3,(H,30,32)
• InChIKey: QZLPNBLEPPTLLW-UHFFFAOYSA-N
• XLogP: 5.55
• TPSA: 71.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.50
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 3-fluoro-N-[4-[5-(3-methoxybenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide (CID 42785137) is 3-fluoro-N-[4-[5-(3-methoxybenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide.

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

The canonical SMILES for 3-fluoro-N-[4-[5-(3-methoxybenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide is COc1cccc(C(=O)N2CCc3oc(-c4ccc(NC(=O)c5cccc(F)c5)cc4)cc3C2)c1.

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

The InChIKey is QZLPNBLEPPTLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23FN2O4/c1-34-24-7-3-5-20(15-24)28(33)31-13-12-25-21(17-31)16-26(35-25)18-8-10-23(11-9-18)30-27(32)19-4-2-6-22(29)14-19/h2-11,14-16H,12-13,17H2,1H3,(H,30,32).

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

3-fluoro-N-[4-[5-(3-methoxybenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide has a molecular weight of 470.50 g/mol, XLogP of 5.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-N-[4-[5-(3-methoxybenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide is sourced from PubChem (CID 42785137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).