N-[1-(4-methoxyphenyl)propan-2-yl]-2-oxo-2-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetamide

C28H25F3N2O3 — CID 46786091

About N-[1-(4-methoxyphenyl)propan-2-yl]-2-oxo-2-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetamide

N-[1-(4-methoxyphenyl)propan-2-yl]-2-oxo-2-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetamide (PubChem CID 46786091) has the molecular formula C28H25F3N2O3 and a molecular weight of 494.51 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)propan-2-yl]-2-oxo-2-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[1-(4-methoxyphenyl)propan-2-yl]-2-oxo-2-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetamide
• PubChem CID: 46786091
• Molecular Formula: C28H25F3N2O3
• Molecular Weight: 494.51 g/mol
• Exact Mass: 494.18
• IUPAC Name: N-[1-(4-methoxyphenyl)propan-2-yl]-2-oxo-2-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetamide
• SMILES: COc1ccc(CC(C)NC(=O)C(=O)c2cn(Cc3cccc(C(F)(F)F)c3)c3ccccc23)cc1
• InChI: InChI=1S/C28H25F3N2O3/c1-18(14-19-10-12-22(36-2)13-11-19)32-27(35)26(34)24-17-33(25-9-4-3-8-23(24)25)16-20-6-5-7-21(15-20)28(29,30)31/h3-13,15,17-18H,14,16H2,1-2H3,(H,32,35)
• InChIKey: CYQWJIWANUYBBQ-UHFFFAOYSA-N
• XLogP: 5.65
• TPSA: 60.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.51
LogP ≤ 5	5.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)propan-2-yl]-2-oxo-2-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetamide?

The IUPAC name of N-[1-(4-methoxyphenyl)propan-2-yl]-2-oxo-2-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetamide (CID 46786091) is N-[1-(4-methoxyphenyl)propan-2-yl]-2-oxo-2-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetamide.

What is the SMILES notation for N-[1-(4-methoxyphenyl)propan-2-yl]-2-oxo-2-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetamide?

The canonical SMILES for N-[1-(4-methoxyphenyl)propan-2-yl]-2-oxo-2-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetamide is COc1ccc(CC(C)NC(=O)C(=O)c2cn(Cc3cccc(C(F)(F)F)c3)c3ccccc23)cc1.

What is the InChIKey of N-[1-(4-methoxyphenyl)propan-2-yl]-2-oxo-2-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetamide?

The InChIKey is CYQWJIWANUYBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F3N2O3/c1-18(14-19-10-12-22(36-2)13-11-19)32-27(35)26(34)24-17-33(25-9-4-3-8-23(24)25)16-20-6-5-7-21(15-20)28(29,30)31/h3-13,15,17-18H,14,16H2,1-2H3,(H,32,35).

What are the key properties of N-[1-(4-methoxyphenyl)propan-2-yl]-2-oxo-2-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetamide?

N-[1-(4-methoxyphenyl)propan-2-yl]-2-oxo-2-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetamide has a molecular weight of 494.51 g/mol, XLogP of 5.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(4-methoxyphenyl)propan-2-yl]-2-oxo-2-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetamide is sourced from PubChem (CID 46786091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).