2-[benzyl-(2-phenylacetyl)amino]-2-(4-fluorophenyl)-N-(4-morpholin-4-ylphenyl)acetamide

C33H32FN3O3 — CID 4087761

About 2-[benzyl-(2-phenylacetyl)amino]-2-(4-fluorophenyl)-N-(4-morpholin-4-ylphenyl)acetamide

2-[benzyl-(2-phenylacetyl)amino]-2-(4-fluorophenyl)-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 4087761) has the molecular formula C33H32FN3O3 and a molecular weight of 537.64 g/mol. Its IUPAC name is 2-[benzyl-(2-phenylacetyl)amino]-2-(4-fluorophenyl)-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[benzyl-(2-phenylacetyl)amino]-2-(4-fluorophenyl)-N-(4-morpholin-4-ylphenyl)acetamide
• PubChem CID: 4087761
• Molecular Formula: C33H32FN3O3
• Molecular Weight: 537.64 g/mol
• Exact Mass: 537.24
• IUPAC Name: 2-[benzyl-(2-phenylacetyl)amino]-2-(4-fluorophenyl)-N-(4-morpholin-4-ylphenyl)acetamide
• SMILES: O=C(Nc1ccc(N2CCOCC2)cc1)C(c1ccc(F)cc1)N(Cc1ccccc1)C(=O)Cc1ccccc1
• InChI: InChI=1S/C33H32FN3O3/c34-28-13-11-27(12-14-28)32(33(39)35-29-15-17-30(18-16-29)36-19-21-40-22-20-36)37(24-26-9-5-2-6-10-26)31(38)23-25-7-3-1-4-8-25/h1-18,32H,19-24H2,(H,35,39)
• InChIKey: MLXFCSWLBVWAPG-UHFFFAOYSA-N
• XLogP: 5.61
• TPSA: 61.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	537.64
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(2-phenylacetyl)amino]-2-(4-fluorophenyl)-N-(4-morpholin-4-ylphenyl)acetamide?

The IUPAC name of 2-[benzyl-(2-phenylacetyl)amino]-2-(4-fluorophenyl)-N-(4-morpholin-4-ylphenyl)acetamide (CID 4087761) is 2-[benzyl-(2-phenylacetyl)amino]-2-(4-fluorophenyl)-N-(4-morpholin-4-ylphenyl)acetamide.

What is the SMILES notation for 2-[benzyl-(2-phenylacetyl)amino]-2-(4-fluorophenyl)-N-(4-morpholin-4-ylphenyl)acetamide?

The canonical SMILES for 2-[benzyl-(2-phenylacetyl)amino]-2-(4-fluorophenyl)-N-(4-morpholin-4-ylphenyl)acetamide is O=C(Nc1ccc(N2CCOCC2)cc1)C(c1ccc(F)cc1)N(Cc1ccccc1)C(=O)Cc1ccccc1.

What is the InChIKey of 2-[benzyl-(2-phenylacetyl)amino]-2-(4-fluorophenyl)-N-(4-morpholin-4-ylphenyl)acetamide?

The InChIKey is MLXFCSWLBVWAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32FN3O3/c34-28-13-11-27(12-14-28)32(33(39)35-29-15-17-30(18-16-29)36-19-21-40-22-20-36)37(24-26-9-5-2-6-10-26)31(38)23-25-7-3-1-4-8-25/h1-18,32H,19-24H2,(H,35,39).

What are the key properties of 2-[benzyl-(2-phenylacetyl)amino]-2-(4-fluorophenyl)-N-(4-morpholin-4-ylphenyl)acetamide?

2-[benzyl-(2-phenylacetyl)amino]-2-(4-fluorophenyl)-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 537.64 g/mol, XLogP of 5.61, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[benzyl-(2-phenylacetyl)amino]-2-(4-fluorophenyl)-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 4087761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).