N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-fluorophenyl)methyl]amino]-2-phenylacetamide

C33H28FN3O6 — CID 43819769

About N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-fluorophenyl)methyl]amino]-2-phenylacetamide

N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-fluorophenyl)methyl]amino]-2-phenylacetamide (PubChem CID 43819769) has the molecular formula C33H28FN3O6 and a molecular weight of 581.60 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-fluorophenyl)methyl]amino]-2-phenylacetamide.

Molecular Properties

• Compound Name: N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-fluorophenyl)methyl]amino]-2-phenylacetamide
• PubChem CID: 43819769
• Molecular Formula: C33H28FN3O6
• Molecular Weight: 581.60 g/mol
• Exact Mass: 581.20
• IUPAC Name: N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-fluorophenyl)methyl]amino]-2-phenylacetamide
• SMILES: COc1ccc(NC(=O)C(c2ccccc2)N(Cc2ccccc2F)C(=O)CN2C(=O)C(=O)c3ccccc32)c(OC)c1
• InChI: InChI=1S/C33H28FN3O6/c1-42-23-16-17-26(28(18-23)43-2)35-32(40)30(21-10-4-3-5-11-21)37(19-22-12-6-8-14-25(22)34)29(38)20-36-27-15-9-7-13-24(27)31(39)33(36)41/h3-18,30H,19-20H2,1-2H3,(H,35,40)
• InChIKey: VETMODCGGMAQTC-UHFFFAOYSA-N
• XLogP: 4.78
• TPSA: 105.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	581.60
LogP ≤ 5	4.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-fluorophenyl)methyl]amino]-2-phenylacetamide?

The IUPAC name of N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-fluorophenyl)methyl]amino]-2-phenylacetamide (CID 43819769) is N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-fluorophenyl)methyl]amino]-2-phenylacetamide.

What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-fluorophenyl)methyl]amino]-2-phenylacetamide?

The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-fluorophenyl)methyl]amino]-2-phenylacetamide is COc1ccc(NC(=O)C(c2ccccc2)N(Cc2ccccc2F)C(=O)CN2C(=O)C(=O)c3ccccc32)c(OC)c1.

What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-fluorophenyl)methyl]amino]-2-phenylacetamide?

The InChIKey is VETMODCGGMAQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28FN3O6/c1-42-23-16-17-26(28(18-23)43-2)35-32(40)30(21-10-4-3-5-11-21)37(19-22-12-6-8-14-25(22)34)29(38)20-36-27-15-9-7-13-24(27)31(39)33(36)41/h3-18,30H,19-20H2,1-2H3,(H,35,40).

What are the key properties of N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-fluorophenyl)methyl]amino]-2-phenylacetamide?

N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-fluorophenyl)methyl]amino]-2-phenylacetamide has a molecular weight of 581.60 g/mol, XLogP of 4.78, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-fluorophenyl)methyl]amino]-2-phenylacetamide is sourced from PubChem (CID 43819769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).