2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide

C26H22F3NO4 — CID 71584254

About 2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide

2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 71584254) has the molecular formula C26H22F3NO4 and a molecular weight of 469.46 g/mol. Its IUPAC name is 2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
• PubChem CID: 71584254
• Molecular Formula: C26H22F3NO4
• Molecular Weight: 469.46 g/mol
• Exact Mass: 469.15
• IUPAC Name: 2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
• SMILES: Cc1c(CC(=O)Nc2cccc(C(F)(F)F)c2)c(=O)oc2c(C)c3oc4c(c3cc12)CCCC4
• InChI: InChI=1S/C26H22F3NO4/c1-13-18-11-20-17-8-3-4-9-21(17)33-24(20)14(2)23(18)34-25(32)19(13)12-22(31)30-16-7-5-6-15(10-16)26(27,28)29/h5-7,10-11H,3-4,8-9,12H2,1-2H3,(H,30,31)
• InChIKey: OSYCHPKSHHSDPQ-UHFFFAOYSA-N
• XLogP: 6.23
• TPSA: 72.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.46
LogP ≤ 5	6.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'cumarine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?

The IUPAC name of 2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (CID 71584254) is 2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.

What is the SMILES notation for 2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?

The canonical SMILES for 2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is Cc1c(CC(=O)Nc2cccc(C(F)(F)F)c2)c(=O)oc2c(C)c3oc4c(c3cc12)CCCC4.

What is the InChIKey of 2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?

The InChIKey is OSYCHPKSHHSDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3NO4/c1-13-18-11-20-17-8-3-4-9-21(17)33-24(20)14(2)23(18)34-25(32)19(13)12-22(31)30-16-7-5-6-15(10-16)26(27,28)29/h5-7,10-11H,3-4,8-9,12H2,1-2H3,(H,30,31).

What are the key properties of 2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?

2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 469.46 g/mol, XLogP of 6.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 71584254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).