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

C28H20F4N2O3 — CID 42665656

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

4-fluoro-N-[4-[5-[3-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide (PubChem CID 42665656) has the molecular formula C28H20F4N2O3 and a molecular weight of 508.47 g/mol. Its IUPAC name is 4-fluoro-N-[4-[5-[3-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide.

Molecular Properties

• Compound Name: 4-fluoro-N-[4-[5-[3-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide
• PubChem CID: 42665656
• Molecular Formula: C28H20F4N2O3
• Molecular Weight: 508.47 g/mol
• Exact Mass: 508.14
• IUPAC Name: 4-fluoro-N-[4-[5-[3-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide
• SMILES: O=C(Nc1ccc(-c2cc3c(o2)CCN(C(=O)c2cccc(C(F)(F)F)c2)C3)cc1)c1ccc(F)cc1
• InChI: InChI=1S/C28H20F4N2O3/c29-22-8-4-18(5-9-22)26(35)33-23-10-6-17(7-11-23)25-15-20-16-34(13-12-24(20)37-25)27(36)19-2-1-3-21(14-19)28(30,31)32/h1-11,14-15H,12-13,16H2,(H,33,35)
• InChIKey: QWWGLPFVVWDULZ-UHFFFAOYSA-N
• XLogP: 6.56
• TPSA: 62.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.47
LogP ≤ 5	6.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 4-fluoro-N-[4-[5-[3-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide (CID 42665656) is 4-fluoro-N-[4-[5-[3-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide.

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

The canonical SMILES for 4-fluoro-N-[4-[5-[3-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide is O=C(Nc1ccc(-c2cc3c(o2)CCN(C(=O)c2cccc(C(F)(F)F)c2)C3)cc1)c1ccc(F)cc1.

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

The InChIKey is QWWGLPFVVWDULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20F4N2O3/c29-22-8-4-18(5-9-22)26(35)33-23-10-6-17(7-11-23)25-15-20-16-34(13-12-24(20)37-25)27(36)19-2-1-3-21(14-19)28(30,31)32/h1-11,14-15H,12-13,16H2,(H,33,35).

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

4-fluoro-N-[4-[5-[3-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide has a molecular weight of 508.47 g/mol, XLogP of 6.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-N-[4-[5-[3-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide is sourced from PubChem (CID 42665656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).