2-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)-2-[(2-phenylacetyl)-(pyridin-3-ylmethyl)amino]acetamide

C32H31ClN4O3 — CID 5065019

About 2-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)-2-[(2-phenylacetyl)-(pyridin-3-ylmethyl)amino]acetamide

2-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)-2-[(2-phenylacetyl)-(pyridin-3-ylmethyl)amino]acetamide (PubChem CID 5065019) has the molecular formula C32H31ClN4O3 and a molecular weight of 555.08 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)-2-[(2-phenylacetyl)-(pyridin-3-ylmethyl)amino]acetamide.

Molecular Properties

• Compound Name: 2-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)-2-[(2-phenylacetyl)-(pyridin-3-ylmethyl)amino]acetamide
• PubChem CID: 5065019
• Molecular Formula: C32H31ClN4O3
• Molecular Weight: 555.08 g/mol
• Exact Mass: 554.21
• IUPAC Name: 2-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)-2-[(2-phenylacetyl)-(pyridin-3-ylmethyl)amino]acetamide
• SMILES: O=C(Nc1ccc(N2CCOCC2)cc1)C(c1ccc(Cl)cc1)N(Cc1cccnc1)C(=O)Cc1ccccc1
• InChI: InChI=1S/C32H31ClN4O3/c33-27-10-8-26(9-11-27)31(32(39)35-28-12-14-29(15-13-28)36-17-19-40-20-18-36)37(23-25-7-4-16-34-22-25)30(38)21-24-5-2-1-3-6-24/h1-16,22,31H,17-21,23H2,(H,35,39)
• InChIKey: FQBWYHGBOVDWOI-UHFFFAOYSA-N
• XLogP: 5.52
• TPSA: 74.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	555.08
LogP ≤ 5	5.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

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-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)-2-[(2-phenylacetyl)-(pyridin-3-ylmethyl)amino]acetamide?

The IUPAC name of 2-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)-2-[(2-phenylacetyl)-(pyridin-3-ylmethyl)amino]acetamide (CID 5065019) is 2-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)-2-[(2-phenylacetyl)-(pyridin-3-ylmethyl)amino]acetamide.

What is the SMILES notation for 2-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)-2-[(2-phenylacetyl)-(pyridin-3-ylmethyl)amino]acetamide?

The canonical SMILES for 2-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)-2-[(2-phenylacetyl)-(pyridin-3-ylmethyl)amino]acetamide is O=C(Nc1ccc(N2CCOCC2)cc1)C(c1ccc(Cl)cc1)N(Cc1cccnc1)C(=O)Cc1ccccc1.

What is the InChIKey of 2-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)-2-[(2-phenylacetyl)-(pyridin-3-ylmethyl)amino]acetamide?

The InChIKey is FQBWYHGBOVDWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31ClN4O3/c33-27-10-8-26(9-11-27)31(32(39)35-28-12-14-29(15-13-28)36-17-19-40-20-18-36)37(23-25-7-4-16-34-22-25)30(38)21-24-5-2-1-3-6-24/h1-16,22,31H,17-21,23H2,(H,35,39).

What are the key properties of 2-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)-2-[(2-phenylacetyl)-(pyridin-3-ylmethyl)amino]acetamide?

2-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)-2-[(2-phenylacetyl)-(pyridin-3-ylmethyl)amino]acetamide has a molecular weight of 555.08 g/mol, XLogP of 5.52, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)-2-[(2-phenylacetyl)-(pyridin-3-ylmethyl)amino]acetamide is sourced from PubChem (CID 5065019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).