2-(2-hydroxy-2-phenylethyl)-5-nitrobenzamide

C₁₅H₁₄N₂O₄ — CID 67128348

About 2-(2-hydroxy-2-phenylethyl)-5-nitrobenzamide

2-(2-hydroxy-2-phenylethyl)-5-nitrobenzamide (PubChem CID 67128348) has the molecular formula C₁₅H₁₄N₂O₄ and a molecular weight of 286.29 g/mol. Its IUPAC name is 2-(2-hydroxy-2-phenylethyl)-5-nitrobenzamide.

Molecular Properties

• Compound Name: 2-(2-hydroxy-2-phenylethyl)-5-nitrobenzamide
• PubChem CID: 67128348
• Molecular Formula: C₁₅H₁₄N₂O₄
• Molecular Weight: 286.29 g/mol
• Exact Mass: 286.10
• IUPAC Name: 2-(2-hydroxy-2-phenylethyl)-5-nitrobenzamide
• SMILES: NC(=O)c1cc([N+](=O)[O-])ccc1CC(O)c1ccccc1
• InChI: InChI=1S/C15H14N2O4/c16-15(19)13-9-12(17(20)21)7-6-11(13)8-14(18)10-4-2-1-3-5-10/h1-7,9,14,18H,8H2,(H2,16,19)
• InChIKey: LVSXUXQSNGTRGY-UHFFFAOYSA-N
• XLogP: 1.97
• TPSA: 106.46 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	286.29
LogP ≤ 5	1.97
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 2-(2-hydroxy-2-phenylethyl)-5-nitrobenzamide?

The IUPAC name of 2-(2-hydroxy-2-phenylethyl)-5-nitrobenzamide (CID 67128348) is 2-(2-hydroxy-2-phenylethyl)-5-nitrobenzamide.

What is the SMILES notation for 2-(2-hydroxy-2-phenylethyl)-5-nitrobenzamide?

The canonical SMILES for 2-(2-hydroxy-2-phenylethyl)-5-nitrobenzamide is NC(=O)c1cc([N+](=O)[O-])ccc1CC(O)c1ccccc1.

What is the InChIKey of 2-(2-hydroxy-2-phenylethyl)-5-nitrobenzamide?

The InChIKey is LVSXUXQSNGTRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c16-15(19)13-9-12(17(20)21)7-6-11(13)8-14(18)10-4-2-1-3-5-10/h1-7,9,14,18H,8H2,(H2,16,19).

What are the key properties of 2-(2-hydroxy-2-phenylethyl)-5-nitrobenzamide?

2-(2-hydroxy-2-phenylethyl)-5-nitrobenzamide has a molecular weight of 286.29 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-hydroxy-2-phenylethyl)-5-nitrobenzamide is sourced from PubChem (CID 67128348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 67128348 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.