N-[(4-methylphenyl)methoxy]-3-nitrobenzamide

C₁₅H₁₄N₂O₄ — CID 4867929

About N-[(4-methylphenyl)methoxy]-3-nitrobenzamide

N-[(4-methylphenyl)methoxy]-3-nitrobenzamide (PubChem CID 4867929) has the molecular formula C₁₅H₁₄N₂O₄ and a molecular weight of 286.29 g/mol. Its IUPAC name is N-[(4-methylphenyl)methoxy]-3-nitrobenzamide.

Molecular Properties

• Compound Name: N-[(4-methylphenyl)methoxy]-3-nitrobenzamide
• PubChem CID: 4867929
• Molecular Formula: C₁₅H₁₄N₂O₄
• Molecular Weight: 286.29 g/mol
• Exact Mass: 286.10
• IUPAC Name: N-[(4-methylphenyl)methoxy]-3-nitrobenzamide
• SMILES: Cc1ccc(CONC(=O)c2cccc([N+](=O)[O-])c2)cc1
• InChI: InChI=1S/C15H14N2O4/c1-11-5-7-12(8-6-11)10-21-16-15(18)13-3-2-4-14(9-13)17(19)20/h2-9H,10H2,1H3,(H,16,18)
• InChIKey: GQXVTGJGLALVMJ-UHFFFAOYSA-N
• XLogP: 2.76
• TPSA: 81.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	286.29
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'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 N-[(4-methylphenyl)methoxy]-3-nitrobenzamide?

The IUPAC name of N-[(4-methylphenyl)methoxy]-3-nitrobenzamide (CID 4867929) is N-[(4-methylphenyl)methoxy]-3-nitrobenzamide.

What is the SMILES notation for N-[(4-methylphenyl)methoxy]-3-nitrobenzamide?

The canonical SMILES for N-[(4-methylphenyl)methoxy]-3-nitrobenzamide is Cc1ccc(CONC(=O)c2cccc([N+](=O)[O-])c2)cc1.

What is the InChIKey of N-[(4-methylphenyl)methoxy]-3-nitrobenzamide?

The InChIKey is GQXVTGJGLALVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-11-5-7-12(8-6-11)10-21-16-15(18)13-3-2-4-14(9-13)17(19)20/h2-9H,10H2,1H3,(H,16,18).

What are the key properties of N-[(4-methylphenyl)methoxy]-3-nitrobenzamide?

N-[(4-methylphenyl)methoxy]-3-nitrobenzamide has a molecular weight of 286.29 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-methylphenyl)methoxy]-3-nitrobenzamide is sourced from PubChem (CID 4867929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 4867929 — identifiers, structure, computed properties (public domain)

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