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

C29H23F3N2O4 — CID 4059589

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

2-phenoxy-N-[4-[5-[3-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]acetamide (PubChem CID 4059589) has the molecular formula C29H23F3N2O4 and a molecular weight of 520.51 g/mol. Its IUPAC name is 2-phenoxy-N-[4-[5-[3-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]acetamide.

Molecular Properties

• Compound Name: 2-phenoxy-N-[4-[5-[3-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]acetamide
• PubChem CID: 4059589
• Molecular Formula: C29H23F3N2O4
• Molecular Weight: 520.51 g/mol
• Exact Mass: 520.16
• IUPAC Name: 2-phenoxy-N-[4-[5-[3-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]acetamide
• SMILES: O=C(COc1ccccc1)Nc1ccc(-c2cc3c(o2)CCN(C(=O)c2cccc(C(F)(F)F)c2)C3)cc1
• InChI: InChI=1S/C29H23F3N2O4/c30-29(31,32)22-6-4-5-20(15-22)28(36)34-14-13-25-21(17-34)16-26(38-25)19-9-11-23(12-10-19)33-27(35)18-37-24-7-2-1-3-8-24/h1-12,15-16H,13-14,17-18H2,(H,33,35)
• InChIKey: FZJZOCHOYYILFN-UHFFFAOYSA-N
• XLogP: 6.18
• TPSA: 71.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.51
LogP ≤ 5	6.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-phenoxy-N-[4-[5-[3-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]acetamide (CID 4059589) is 2-phenoxy-N-[4-[5-[3-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]acetamide.

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

The canonical SMILES for 2-phenoxy-N-[4-[5-[3-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]acetamide is O=C(COc1ccccc1)Nc1ccc(-c2cc3c(o2)CCN(C(=O)c2cccc(C(F)(F)F)c2)C3)cc1.

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

The InChIKey is FZJZOCHOYYILFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23F3N2O4/c30-29(31,32)22-6-4-5-20(15-22)28(36)34-14-13-25-21(17-34)16-26(38-25)19-9-11-23(12-10-19)33-27(35)18-37-24-7-2-1-3-8-24/h1-12,15-16H,13-14,17-18H2,(H,33,35).

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

2-phenoxy-N-[4-[5-[3-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]acetamide has a molecular weight of 520.51 g/mol, XLogP of 6.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenoxy-N-[4-[5-[3-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]acetamide is sourced from PubChem (CID 4059589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).