2-(2,4-dichlorophenyl)-N-(2-hydroxy-5-nitrophenyl)acetamide

C₁₄H₁₀Cl₂N₂O₄ — CID 112771738

About 2-(2,4-dichlorophenyl)-N-(2-hydroxy-5-nitrophenyl)acetamide

2-(2,4-dichlorophenyl)-N-(2-hydroxy-5-nitrophenyl)acetamide (PubChem CID 112771738) has the molecular formula C₁₄H₁₀Cl₂N₂O₄ and a molecular weight of 341.15 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-(2-hydroxy-5-nitrophenyl)acetamide.

Molecular Properties

• Compound Name: 2-(2,4-dichlorophenyl)-N-(2-hydroxy-5-nitrophenyl)acetamide
• PubChem CID: 112771738
• Molecular Formula: C₁₄H₁₀Cl₂N₂O₄
• Molecular Weight: 341.15 g/mol
• Exact Mass: 340.00
• IUPAC Name: 2-(2,4-dichlorophenyl)-N-(2-hydroxy-5-nitrophenyl)acetamide
• SMILES: O=C(Cc1ccc(Cl)cc1Cl)Nc1cc([N+](=O)[O-])ccc1O
• InChI: InChI=1S/C14H10Cl2N2O4/c15-9-2-1-8(11(16)6-9)5-14(20)17-12-7-10(18(21)22)3-4-13(12)19/h1-4,6-7,19H,5H2,(H,17,20)
• InChIKey: QMXUGHBQIIKOGJ-UHFFFAOYSA-N
• XLogP: 3.79
• TPSA: 92.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	341.15
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N-(2-hydroxy-5-nitrophenyl)acetamide?

The IUPAC name of 2-(2,4-dichlorophenyl)-N-(2-hydroxy-5-nitrophenyl)acetamide (CID 112771738) is 2-(2,4-dichlorophenyl)-N-(2-hydroxy-5-nitrophenyl)acetamide.

What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-(2-hydroxy-5-nitrophenyl)acetamide?

The canonical SMILES for 2-(2,4-dichlorophenyl)-N-(2-hydroxy-5-nitrophenyl)acetamide is O=C(Cc1ccc(Cl)cc1Cl)Nc1cc([N+](=O)[O-])ccc1O.

What is the InChIKey of 2-(2,4-dichlorophenyl)-N-(2-hydroxy-5-nitrophenyl)acetamide?

The InChIKey is QMXUGHBQIIKOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O4/c15-9-2-1-8(11(16)6-9)5-14(20)17-12-7-10(18(21)22)3-4-13(12)19/h1-4,6-7,19H,5H2,(H,17,20).

What are the key properties of 2-(2,4-dichlorophenyl)-N-(2-hydroxy-5-nitrophenyl)acetamide?

2-(2,4-dichlorophenyl)-N-(2-hydroxy-5-nitrophenyl)acetamide has a molecular weight of 341.15 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-dichlorophenyl)-N-(2-hydroxy-5-nitrophenyl)acetamide is sourced from PubChem (CID 112771738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 112771738 — identifiers, structure, computed properties (public domain)

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