1-phenyl-2-(1-phenylethylimino)ethanone

C16H15NO — CID 13351393

IUPAC1-phenyl-2-(1-phenylethylimino)ethanone
SMILESCC(/N=C/C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H15NO/c1-13(14-8-4-2-5-9-14)17-12-16(18)15-10-6-3-7-11-15/h2-13H,1H3/b17-12+
InChIKeyJMLWFAUVYNJBSF-SFQUDFHCSA-N
MW237.30 g/mol
LogP3.70
Rot. Bonds4

About 1-phenyl-2-(1-phenylethylimino)ethanone

1-phenyl-2-(1-phenylethylimino)ethanone (PubChem CID 13351393) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-phenyl-2-(1-phenylethylimino)ethanone.

Molecular Properties

Compound Name1-phenyl-2-(1-phenylethylimino)ethanone
PubChem CID13351393
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name1-phenyl-2-(1-phenylethylimino)ethanone
SMILESCC(/N=C/C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H15NO/c1-13(14-8-4-2-5-9-14)17-12-16(18)15-10-6-3-7-11-15/h2-13H,1H3/b17-12+
InChIKeyJMLWFAUVYNJBSF-SFQUDFHCSA-N
XLogP3.70
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-phenyl-2-(1-phenylethylimino)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(1-phenylethylimino)ethanone?
The IUPAC name of 1-phenyl-2-(1-phenylethylimino)ethanone (CID 13351393) is 1-phenyl-2-(1-phenylethylimino)ethanone.
What is the SMILES notation for 1-phenyl-2-(1-phenylethylimino)ethanone?
The canonical SMILES for 1-phenyl-2-(1-phenylethylimino)ethanone is CC(/N=C/C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-(1-phenylethylimino)ethanone?
The InChIKey is JMLWFAUVYNJBSF-SFQUDFHCSA-N. The full InChI is InChI=1S/C16H15NO/c1-13(14-8-4-2-5-9-14)17-12-16(18)15-10-6-3-7-11-15/h2-13H,1H3/b17-12+.
What are the key properties of 1-phenyl-2-(1-phenylethylimino)ethanone?
1-phenyl-2-(1-phenylethylimino)ethanone has a molecular weight of 237.30 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(1-phenylethylimino)ethanone is sourced from PubChem (CID 13351393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).