2-(4-chlorophenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide

C36H33ClN4O5 — CID 43820051

About 2-(4-chlorophenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide

2-(4-chlorophenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 43820051) has the molecular formula C36H33ClN4O5 and a molecular weight of 637.14 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-(4-chlorophenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
• PubChem CID: 43820051
• Molecular Formula: C36H33ClN4O5
• Molecular Weight: 637.14 g/mol
• Exact Mass: 636.21
• IUPAC Name: 2-(4-chlorophenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
• SMILES: Cc1ccc(CN(C(=O)CN2C(=O)C(=O)c3ccccc32)C(C(=O)Nc2ccc(N3CCOCC3)cc2)c2ccc(Cl)cc2)cc1
• InChI: InChI=1S/C36H33ClN4O5/c1-24-6-8-25(9-7-24)22-41(32(42)23-40-31-5-3-2-4-30(31)34(43)36(40)45)33(26-10-12-27(37)13-11-26)35(44)38-28-14-16-29(17-15-28)39-18-20-46-21-19-39/h2-17,33H,18-23H2,1H3,(H,38,44)
• InChIKey: ATQLLHUOTYQEGZ-UHFFFAOYSA-N
• XLogP: 5.42
• TPSA: 99.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	637.14
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide?

The IUPAC name of 2-(4-chlorophenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide (CID 43820051) is 2-(4-chlorophenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide.

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

The canonical SMILES for 2-(4-chlorophenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide is Cc1ccc(CN(C(=O)CN2C(=O)C(=O)c3ccccc32)C(C(=O)Nc2ccc(N3CCOCC3)cc2)c2ccc(Cl)cc2)cc1.

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

The InChIKey is ATQLLHUOTYQEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H33ClN4O5/c1-24-6-8-25(9-7-24)22-41(32(42)23-40-31-5-3-2-4-30(31)34(43)36(40)45)33(26-10-12-27(37)13-11-26)35(44)38-28-14-16-29(17-15-28)39-18-20-46-21-19-39/h2-17,33H,18-23H2,1H3,(H,38,44).

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

2-(4-chlorophenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 637.14 g/mol, XLogP of 5.42, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 43820051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).