4-formyl-N-phenethylbenzamide

C₁₆H₁₅NO₂ — CID 12773386

About 4-formyl-N-phenethylbenzamide

4-formyl-N-phenethylbenzamide (PubChem CID 12773386) has the molecular formula C₁₆H₁₅NO₂ and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-formyl-N-(2-phenylethyl)benzamide.

Molecular Properties

• Compound Name: 4-formyl-N-phenethylbenzamide
• PubChem CID: 12773386
• Molecular Formula: C₁₆H₁₅NO₂
• Molecular Weight: 253.30 g/mol
• Exact Mass: 253.11
• IUPAC Name: 4-formyl-N-(2-phenylethyl)benzamide
• SMILES: O=Cc1ccc(C(=O)NCCc2ccccc2)cc1
• InChI: InChI=1S/C16H15NO2/c18-12-14-6-8-15(9-7-14)16(19)17-11-10-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,17,19)
• InChIKey: UDYQQOWAOFCYIV-UHFFFAOYSA-N
• XLogP: 2.47
• TPSA: 46.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	253.30
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-formyl-N-phenethylbenzamide?

The IUPAC name of 4-formyl-N-phenethylbenzamide (CID 12773386) is 4-formyl-N-(2-phenylethyl)benzamide.

What is the SMILES notation for 4-formyl-N-phenethylbenzamide?

The canonical SMILES for 4-formyl-N-phenethylbenzamide is O=Cc1ccc(C(=O)NCCc2ccccc2)cc1.

What is the InChIKey of 4-formyl-N-phenethylbenzamide?

The InChIKey is UDYQQOWAOFCYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c18-12-14-6-8-15(9-7-14)16(19)17-11-10-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,17,19).

What are the key properties of 4-formyl-N-phenethylbenzamide?

4-formyl-N-phenethylbenzamide has a molecular weight of 253.30 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-formyl-N-phenethylbenzamide is sourced from PubChem (CID 12773386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 12773386 — identifiers, structure, computed properties (public domain)

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