N-[(E)-1,1-diphenylpropan-2-ylideneamino]benzamide

C₂₂H₂₀N₂O — CID 54785289

About N-[(E)-1,1-diphenylpropan-2-ylideneamino]benzamide

N-[(E)-1,1-diphenylpropan-2-ylideneamino]benzamide (PubChem CID 54785289) has the molecular formula C₂₂H₂₀N₂O and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[(E)-1,1-diphenylpropan-2-ylideneamino]benzamide.

Molecular Properties

• Compound Name: N-[(E)-1,1-diphenylpropan-2-ylideneamino]benzamide
• PubChem CID: 54785289
• Molecular Formula: C₂₂H₂₀N₂O
• Molecular Weight: 328.42 g/mol
• Exact Mass: 328.16
• IUPAC Name: N-[(E)-1,1-diphenylpropan-2-ylideneamino]benzamide
• SMILES: C/C(=N\NC(=O)c1ccccc1)C(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C22H20N2O/c1-17(23-24-22(25)20-15-9-4-10-16-20)21(18-11-5-2-6-12-18)19-13-7-3-8-14-19/h2-16,21H,1H3,(H,24,25)/b23-17+
• InChIKey: BROPOISXSTXIIW-HAVVHWLPSA-N
• XLogP: 4.62
• TPSA: 41.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	328.42
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1,1-diphenylpropan-2-ylideneamino]benzamide?

The IUPAC name of N-[(E)-1,1-diphenylpropan-2-ylideneamino]benzamide (CID 54785289) is N-[(E)-1,1-diphenylpropan-2-ylideneamino]benzamide.

What is the SMILES notation for N-[(E)-1,1-diphenylpropan-2-ylideneamino]benzamide?

The canonical SMILES for N-[(E)-1,1-diphenylpropan-2-ylideneamino]benzamide is C/C(=N\NC(=O)c1ccccc1)C(c1ccccc1)c1ccccc1.

What is the InChIKey of N-[(E)-1,1-diphenylpropan-2-ylideneamino]benzamide?

The InChIKey is BROPOISXSTXIIW-HAVVHWLPSA-N. The full InChI is InChI=1S/C22H20N2O/c1-17(23-24-22(25)20-15-9-4-10-16-20)21(18-11-5-2-6-12-18)19-13-7-3-8-14-19/h2-16,21H,1H3,(H,24,25)/b23-17+.

What are the key properties of N-[(E)-1,1-diphenylpropan-2-ylideneamino]benzamide?

N-[(E)-1,1-diphenylpropan-2-ylideneamino]benzamide has a molecular weight of 328.42 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(E)-1,1-diphenylpropan-2-ylideneamino]benzamide is sourced from PubChem (CID 54785289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 54785289 — identifiers, structure, computed properties (public domain)

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