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

C33H28FN3O6 — CID 43819477

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

2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-fluorophenyl)methyl]amino]-2-(3-methoxyphenyl)-N-(4-methoxyphenyl)acetamide (PubChem CID 43819477) has the molecular formula C33H28FN3O6 and a molecular weight of 581.60 g/mol. Its IUPAC name is 2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-fluorophenyl)methyl]amino]-2-(3-methoxyphenyl)-N-(4-methoxyphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-fluorophenyl)methyl]amino]-2-(3-methoxyphenyl)-N-(4-methoxyphenyl)acetamide
• PubChem CID: 43819477
• Molecular Formula: C33H28FN3O6
• Molecular Weight: 581.60 g/mol
• Exact Mass: 581.20
• IUPAC Name: 2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-fluorophenyl)methyl]amino]-2-(3-methoxyphenyl)-N-(4-methoxyphenyl)acetamide
• SMILES: COc1ccc(NC(=O)C(c2cccc(OC)c2)N(Cc2ccccc2F)C(=O)CN2C(=O)C(=O)c3ccccc32)cc1
• InChI: InChI=1S/C33H28FN3O6/c1-42-24-16-14-23(15-17-24)35-32(40)30(21-9-7-10-25(18-21)43-2)37(19-22-8-3-5-12-27(22)34)29(38)20-36-28-13-6-4-11-26(28)31(39)33(36)41/h3-18,30H,19-20H2,1-2H3,(H,35,40)
• InChIKey: JZCLWMHLTANACI-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 2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-fluorophenyl)methyl]amino]-2-(3-methoxyphenyl)-N-(4-methoxyphenyl)acetamide?

The IUPAC name of 2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-fluorophenyl)methyl]amino]-2-(3-methoxyphenyl)-N-(4-methoxyphenyl)acetamide (CID 43819477) is 2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-fluorophenyl)methyl]amino]-2-(3-methoxyphenyl)-N-(4-methoxyphenyl)acetamide.

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

The canonical SMILES for 2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-fluorophenyl)methyl]amino]-2-(3-methoxyphenyl)-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)C(c2cccc(OC)c2)N(Cc2ccccc2F)C(=O)CN2C(=O)C(=O)c3ccccc32)cc1.

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

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

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

2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-fluorophenyl)methyl]amino]-2-(3-methoxyphenyl)-N-(4-methoxyphenyl)acetamide 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 2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-fluorophenyl)methyl]amino]-2-(3-methoxyphenyl)-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 43819477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).