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

C33H28ClN3O6 — CID 43819499

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

2-[(4-chlorophenyl)methyl-[2-(2,3-dioxoindol-1-yl)acetyl]amino]-N,2-bis(4-methoxyphenyl)acetamide (PubChem CID 43819499) has the molecular formula C33H28ClN3O6 and a molecular weight of 598.06 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl-[2-(2,3-dioxoindol-1-yl)acetyl]amino]-N,2-bis(4-methoxyphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[(4-chlorophenyl)methyl-[2-(2,3-dioxoindol-1-yl)acetyl]amino]-N,2-bis(4-methoxyphenyl)acetamide
• PubChem CID: 43819499
• Molecular Formula: C33H28ClN3O6
• Molecular Weight: 598.06 g/mol
• Exact Mass: 597.17
• IUPAC Name: 2-[(4-chlorophenyl)methyl-[2-(2,3-dioxoindol-1-yl)acetyl]amino]-N,2-bis(4-methoxyphenyl)acetamide
• SMILES: COc1ccc(NC(=O)C(c2ccc(OC)cc2)N(Cc2ccc(Cl)cc2)C(=O)CN2C(=O)C(=O)c3ccccc32)cc1
• InChI: InChI=1S/C33H28ClN3O6/c1-42-25-15-9-22(10-16-25)30(32(40)35-24-13-17-26(43-2)18-14-24)37(19-21-7-11-23(34)12-8-21)29(38)20-36-28-6-4-3-5-27(28)31(39)33(36)41/h3-18,30H,19-20H2,1-2H3,(H,35,40)
• InChIKey: NPPMZJYGDFFIDS-UHFFFAOYSA-N
• XLogP: 5.30
• TPSA: 105.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	598.06
LogP ≤ 5	5.30
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-[(4-chlorophenyl)methyl-[2-(2,3-dioxoindol-1-yl)acetyl]amino]-N,2-bis(4-methoxyphenyl)acetamide?

The IUPAC name of 2-[(4-chlorophenyl)methyl-[2-(2,3-dioxoindol-1-yl)acetyl]amino]-N,2-bis(4-methoxyphenyl)acetamide (CID 43819499) is 2-[(4-chlorophenyl)methyl-[2-(2,3-dioxoindol-1-yl)acetyl]amino]-N,2-bis(4-methoxyphenyl)acetamide.

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

The canonical SMILES for 2-[(4-chlorophenyl)methyl-[2-(2,3-dioxoindol-1-yl)acetyl]amino]-N,2-bis(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)C(c2ccc(OC)cc2)N(Cc2ccc(Cl)cc2)C(=O)CN2C(=O)C(=O)c3ccccc32)cc1.

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

The InChIKey is NPPMZJYGDFFIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28ClN3O6/c1-42-25-15-9-22(10-16-25)30(32(40)35-24-13-17-26(43-2)18-14-24)37(19-21-7-11-23(34)12-8-21)29(38)20-36-28-6-4-3-5-27(28)31(39)33(36)41/h3-18,30H,19-20H2,1-2H3,(H,35,40).

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

2-[(4-chlorophenyl)methyl-[2-(2,3-dioxoindol-1-yl)acetyl]amino]-N,2-bis(4-methoxyphenyl)acetamide has a molecular weight of 598.06 g/mol, XLogP of 5.30, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-chlorophenyl)methyl-[2-(2,3-dioxoindol-1-yl)acetyl]amino]-N,2-bis(4-methoxyphenyl)acetamide is sourced from PubChem (CID 43819499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).