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

C34H34FN3O3 — CID 4163725

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

2-[(2-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 4163725) has the molecular formula C34H34FN3O3 and a molecular weight of 551.66 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[(2-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)acetamide
• PubChem CID: 4163725
• Molecular Formula: C34H34FN3O3
• Molecular Weight: 551.66 g/mol
• Exact Mass: 551.26
• IUPAC Name: 2-[(2-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)acetamide
• SMILES: Cc1ccc(C(C(=O)Nc2ccc(N3CCOCC3)cc2)N(Cc2ccccc2F)C(=O)Cc2ccccc2)cc1
• InChI: InChI=1S/C34H34FN3O3/c1-25-11-13-27(14-12-25)33(34(40)36-29-15-17-30(18-16-29)37-19-21-41-22-20-37)38(24-28-9-5-6-10-31(28)35)32(39)23-26-7-3-2-4-8-26/h2-18,33H,19-24H2,1H3,(H,36,40)
• InChIKey: OBMVLJCBHTWWGR-UHFFFAOYSA-N
• XLogP: 5.92
• TPSA: 61.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	551.66
LogP ≤ 5	5.92
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-[(2-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)acetamide?

The IUPAC name of 2-[(2-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)acetamide (CID 4163725) is 2-[(2-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)acetamide.

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

The canonical SMILES for 2-[(2-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)acetamide is Cc1ccc(C(C(=O)Nc2ccc(N3CCOCC3)cc2)N(Cc2ccccc2F)C(=O)Cc2ccccc2)cc1.

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

The InChIKey is OBMVLJCBHTWWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34FN3O3/c1-25-11-13-27(14-12-25)33(34(40)36-29-15-17-30(18-16-29)37-19-21-41-22-20-37)38(24-28-9-5-6-10-31(28)35)32(39)23-26-7-3-2-4-8-26/h2-18,33H,19-24H2,1H3,(H,36,40).

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

2-[(2-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 551.66 g/mol, XLogP of 5.92, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 4163725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).