N-[3-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]-2-phenylacetamide

C₁₈H₁₅ClN₂O₃ — CID 142663321

About N-[3-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]-2-phenylacetamide

N-[3-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]-2-phenylacetamide (PubChem CID 142663321) has the molecular formula C₁₈H₁₅ClN₂O₃ and a molecular weight of 342.78 g/mol. Its IUPAC name is N-[3-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]-2-phenylacetamide.

Molecular Properties

• Compound Name: N-[3-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]-2-phenylacetamide
• PubChem CID: 142663321
• Molecular Formula: C₁₈H₁₅ClN₂O₃
• Molecular Weight: 342.78 g/mol
• Exact Mass: 342.08
• IUPAC Name: N-[3-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]-2-phenylacetamide
• SMILES: O=C(Cc1ccccc1)Nc1ccc(N2C(=O)CCC2=O)c(Cl)c1
• InChI: InChI=1S/C18H15ClN2O3/c19-14-11-13(20-16(22)10-12-4-2-1-3-5-12)6-7-15(14)21-17(23)8-9-18(21)24/h1-7,11H,8-10H2,(H,20,22)
• InChIKey: DUKDQJOIFGFFLN-UHFFFAOYSA-N
• XLogP: 3.17
• TPSA: 66.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	342.78
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]-2-phenylacetamide?

The IUPAC name of N-[3-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]-2-phenylacetamide (CID 142663321) is N-[3-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]-2-phenylacetamide.

What is the SMILES notation for N-[3-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]-2-phenylacetamide?

The canonical SMILES for N-[3-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]-2-phenylacetamide is O=C(Cc1ccccc1)Nc1ccc(N2C(=O)CCC2=O)c(Cl)c1.

What is the InChIKey of N-[3-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]-2-phenylacetamide?

The InChIKey is DUKDQJOIFGFFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3/c19-14-11-13(20-16(22)10-12-4-2-1-3-5-12)6-7-15(14)21-17(23)8-9-18(21)24/h1-7,11H,8-10H2,(H,20,22).

What are the key properties of N-[3-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]-2-phenylacetamide?

N-[3-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]-2-phenylacetamide has a molecular weight of 342.78 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]-2-phenylacetamide is sourced from PubChem (CID 142663321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 142663321 — identifiers, structure, computed properties (public domain)

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