1-[(3,5-difluorophenyl)methyl]-3-methyl-2-oxo-6-N-[(2,4,6-trifluorophenyl)methyl]indole-3,6-dicarboxamide

C25H18F5N3O3 — CID 142502484

About 1-[(3,5-difluorophenyl)methyl]-3-methyl-2-oxo-6-N-[(2,4,6-trifluorophenyl)methyl]indole-3,6-dicarboxamide

1-[(3,5-difluorophenyl)methyl]-3-methyl-2-oxo-6-N-[(2,4,6-trifluorophenyl)methyl]indole-3,6-dicarboxamide (PubChem CID 142502484) has the molecular formula C25H18F5N3O3 and a molecular weight of 503.43 g/mol. Its IUPAC name is 1-[(3,5-difluorophenyl)methyl]-3-methyl-2-oxo-6-N-[(2,4,6-trifluorophenyl)methyl]indole-3,6-dicarboxamide.

Molecular Properties

• Compound Name: 1-[(3,5-difluorophenyl)methyl]-3-methyl-2-oxo-6-N-[(2,4,6-trifluorophenyl)methyl]indole-3,6-dicarboxamide
• PubChem CID: 142502484
• Molecular Formula: C25H18F5N3O3
• Molecular Weight: 503.43 g/mol
• Exact Mass: 503.13
• IUPAC Name: 1-[(3,5-difluorophenyl)methyl]-3-methyl-2-oxo-6-N-[(2,4,6-trifluorophenyl)methyl]indole-3,6-dicarboxamide
• SMILES: CC1(C(N)=O)C(=O)N(Cc2cc(F)cc(F)c2)c2cc(C(=O)NCc3c(F)cc(F)cc3F)ccc21
• InChI: InChI=1S/C25H18F5N3O3/c1-25(23(31)35)18-3-2-13(22(34)32-10-17-19(29)8-16(28)9-20(17)30)6-21(18)33(24(25)36)11-12-4-14(26)7-15(27)5-12/h2-9H,10-11H2,1H3,(H2,31,35)(H,32,34)
• InChIKey: DDJGPGNWGDMAOR-UHFFFAOYSA-N
• XLogP: 3.60
• TPSA: 92.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.43
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-difluorophenyl)methyl]-3-methyl-2-oxo-6-N-[(2,4,6-trifluorophenyl)methyl]indole-3,6-dicarboxamide?

The IUPAC name of 1-[(3,5-difluorophenyl)methyl]-3-methyl-2-oxo-6-N-[(2,4,6-trifluorophenyl)methyl]indole-3,6-dicarboxamide (CID 142502484) is 1-[(3,5-difluorophenyl)methyl]-3-methyl-2-oxo-6-N-[(2,4,6-trifluorophenyl)methyl]indole-3,6-dicarboxamide.

What is the SMILES notation for 1-[(3,5-difluorophenyl)methyl]-3-methyl-2-oxo-6-N-[(2,4,6-trifluorophenyl)methyl]indole-3,6-dicarboxamide?

The canonical SMILES for 1-[(3,5-difluorophenyl)methyl]-3-methyl-2-oxo-6-N-[(2,4,6-trifluorophenyl)methyl]indole-3,6-dicarboxamide is CC1(C(N)=O)C(=O)N(Cc2cc(F)cc(F)c2)c2cc(C(=O)NCc3c(F)cc(F)cc3F)ccc21.

What is the InChIKey of 1-[(3,5-difluorophenyl)methyl]-3-methyl-2-oxo-6-N-[(2,4,6-trifluorophenyl)methyl]indole-3,6-dicarboxamide?

The InChIKey is DDJGPGNWGDMAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F5N3O3/c1-25(23(31)35)18-3-2-13(22(34)32-10-17-19(29)8-16(28)9-20(17)30)6-21(18)33(24(25)36)11-12-4-14(26)7-15(27)5-12/h2-9H,10-11H2,1H3,(H2,31,35)(H,32,34).

What are the key properties of 1-[(3,5-difluorophenyl)methyl]-3-methyl-2-oxo-6-N-[(2,4,6-trifluorophenyl)methyl]indole-3,6-dicarboxamide?

1-[(3,5-difluorophenyl)methyl]-3-methyl-2-oxo-6-N-[(2,4,6-trifluorophenyl)methyl]indole-3,6-dicarboxamide has a molecular weight of 503.43 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3,5-difluorophenyl)methyl]-3-methyl-2-oxo-6-N-[(2,4,6-trifluorophenyl)methyl]indole-3,6-dicarboxamide is sourced from PubChem (CID 142502484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).