N-(2-amino-2-phenylethyl)-2-nitrobenzamide

C₁₅H₁₅N₃O₃ — CID 63120393

About N-(2-amino-2-phenylethyl)-2-nitrobenzamide

N-(2-amino-2-phenylethyl)-2-nitrobenzamide (PubChem CID 63120393) has the molecular formula C₁₅H₁₅N₃O₃ and a molecular weight of 285.30 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-2-nitrobenzamide.

Molecular Properties

• Compound Name: N-(2-amino-2-phenylethyl)-2-nitrobenzamide
• PubChem CID: 63120393
• Molecular Formula: C₁₅H₁₅N₃O₃
• Molecular Weight: 285.30 g/mol
• Exact Mass: 285.11
• IUPAC Name: N-(2-amino-2-phenylethyl)-2-nitrobenzamide
• SMILES: NC(CNC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1
• InChI: InChI=1S/C15H15N3O3/c16-13(11-6-2-1-3-7-11)10-17-15(19)12-8-4-5-9-14(12)18(20)21/h1-9,13H,10,16H2,(H,17,19)
• InChIKey: JAHBYXWPHOVSPB-UHFFFAOYSA-N
• XLogP: 2.02
• TPSA: 98.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	285.30
LogP ≤ 5	2.02
H-Bond Donors ≤ 5	2
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-(2-amino-2-phenylethyl)-2-nitrobenzamide?

The IUPAC name of N-(2-amino-2-phenylethyl)-2-nitrobenzamide (CID 63120393) is N-(2-amino-2-phenylethyl)-2-nitrobenzamide.

What is the SMILES notation for N-(2-amino-2-phenylethyl)-2-nitrobenzamide?

The canonical SMILES for N-(2-amino-2-phenylethyl)-2-nitrobenzamide is NC(CNC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1.

What is the InChIKey of N-(2-amino-2-phenylethyl)-2-nitrobenzamide?

The InChIKey is JAHBYXWPHOVSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c16-13(11-6-2-1-3-7-11)10-17-15(19)12-8-4-5-9-14(12)18(20)21/h1-9,13H,10,16H2,(H,17,19).

What are the key properties of N-(2-amino-2-phenylethyl)-2-nitrobenzamide?

N-(2-amino-2-phenylethyl)-2-nitrobenzamide has a molecular weight of 285.30 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-amino-2-phenylethyl)-2-nitrobenzamide is sourced from PubChem (CID 63120393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 63120393 — identifiers, structure, computed properties (public domain)

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