2-benzhydrylimino-1-(2-fluorophenyl)ethanone

C21H16FNO — CID 139818869

IUPAC2-benzhydrylimino-1-(2-fluorophenyl)ethanone
SMILESO=C(/C=N/C(c1ccccc1)c1ccccc1)c1ccccc1F
InChIInChI=1S/C21H16FNO/c22-19-14-8-7-13-18(19)20(24)15-23-21(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-15,21H/b23-15+
InChIKeyRGMWIXCEKGDLIO-HZHRSRAPSA-N
MW317.36 g/mol
LogP4.87
Rot. Bonds5

About 2-benzhydrylimino-1-(2-fluorophenyl)ethanone

2-benzhydrylimino-1-(2-fluorophenyl)ethanone (PubChem CID 139818869) has the molecular formula C21H16FNO and a molecular weight of 317.36 g/mol. Its IUPAC name is 2-benzhydrylimino-1-(2-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-benzhydrylimino-1-(2-fluorophenyl)ethanone
PubChem CID139818869
Molecular FormulaC21H16FNO
Molecular Weight317.36 g/mol
Exact Mass317.12
IUPAC Name2-benzhydrylimino-1-(2-fluorophenyl)ethanone
SMILESO=C(/C=N/C(c1ccccc1)c1ccccc1)c1ccccc1F
InChIInChI=1S/C21H16FNO/c22-19-14-8-7-13-18(19)20(24)15-23-21(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-15,21H/b23-15+
InChIKeyRGMWIXCEKGDLIO-HZHRSRAPSA-N
XLogP4.87
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-benzhydrylimino-1-(2-fluorophenyl)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 2-benzhydrylimino-1-(2-fluorophenyl)ethanone?
The IUPAC name of 2-benzhydrylimino-1-(2-fluorophenyl)ethanone (CID 139818869) is 2-benzhydrylimino-1-(2-fluorophenyl)ethanone.
What is the SMILES notation for 2-benzhydrylimino-1-(2-fluorophenyl)ethanone?
The canonical SMILES for 2-benzhydrylimino-1-(2-fluorophenyl)ethanone is O=C(/C=N/C(c1ccccc1)c1ccccc1)c1ccccc1F.
What is the InChIKey of 2-benzhydrylimino-1-(2-fluorophenyl)ethanone?
The InChIKey is RGMWIXCEKGDLIO-HZHRSRAPSA-N. The full InChI is InChI=1S/C21H16FNO/c22-19-14-8-7-13-18(19)20(24)15-23-21(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-15,21H/b23-15+.
What are the key properties of 2-benzhydrylimino-1-(2-fluorophenyl)ethanone?
2-benzhydrylimino-1-(2-fluorophenyl)ethanone has a molecular weight of 317.36 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydrylimino-1-(2-fluorophenyl)ethanone is sourced from PubChem (CID 139818869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).