2-benzhydrylimino-1-(3-fluorophenyl)ethanone

C21H16FNO — CID 139818856

IUPAC2-benzhydrylimino-1-(3-fluorophenyl)ethanone
SMILESO=C(/C=N/C(c1ccccc1)c1ccccc1)c1cccc(F)c1
InChIInChI=1S/C21H16FNO/c22-19-13-7-12-18(14-19)20(24)15-23-21(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-15,21H/b23-15+
InChIKeyUGHUCXZZYWNODX-HZHRSRAPSA-N
MW317.36 g/mol
LogP4.87
Rot. Bonds5

About 2-benzhydrylimino-1-(3-fluorophenyl)ethanone

2-benzhydrylimino-1-(3-fluorophenyl)ethanone (PubChem CID 139818856) has the molecular formula C21H16FNO and a molecular weight of 317.36 g/mol. Its IUPAC name is 2-benzhydrylimino-1-(3-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-benzhydrylimino-1-(3-fluorophenyl)ethanone
PubChem CID139818856
Molecular FormulaC21H16FNO
Molecular Weight317.36 g/mol
Exact Mass317.12
IUPAC Name2-benzhydrylimino-1-(3-fluorophenyl)ethanone
SMILESO=C(/C=N/C(c1ccccc1)c1ccccc1)c1cccc(F)c1
InChIInChI=1S/C21H16FNO/c22-19-13-7-12-18(14-19)20(24)15-23-21(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-15,21H/b23-15+
InChIKeyUGHUCXZZYWNODX-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'}

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Related Compounds

2-[(4-Fluorobenzylidene)(oxido)amino]-2-methyl-1-phenyl-1-propanone
CID 2218357
N-benzhydrylidenebenzamide
CID 282096
2-[(2-Fluorobenzylidene)(oxido)amino]-2-methyl-1-phenyl-1-propanone
CID 2218359
N-[(4-fluorophenyl)methylidene]benzamide
CID 10966224
N-[(2-fluorophenyl)methylidene]benzamide
CID 71578949
N-[(2S)-2-fluoro-2-phenylcyclohexylidene]benzamide
CID 134946119
N-benzylidene-4-fluorobenzamide
CID 135079547
[2-(3-Fluorophenyl)-4-methyl-1-azaspiro[4.5]deca-1,3-dien-3-yl]-phenylmethanone
CID 138964805
1-Phenyl-2-(1-phenylethylimino)ethanone
CID 13351393
2-Benzylimino-1-phenylethanone
CID 13351399
(4-fluorophenyl)(3-{[(E)-(4-fluorophenyl)methylidene]amino}phenyl)methanone
CID 691279
N-(Diphenylmethylidene)-4-fluorobenzamide
CID 5170955

Frequently Asked Questions

What is the IUPAC name of 2-benzhydrylimino-1-(3-fluorophenyl)ethanone?
The IUPAC name of 2-benzhydrylimino-1-(3-fluorophenyl)ethanone (CID 139818856) is 2-benzhydrylimino-1-(3-fluorophenyl)ethanone.
What is the SMILES notation for 2-benzhydrylimino-1-(3-fluorophenyl)ethanone?
The canonical SMILES for 2-benzhydrylimino-1-(3-fluorophenyl)ethanone is O=C(/C=N/C(c1ccccc1)c1ccccc1)c1cccc(F)c1.
What is the InChIKey of 2-benzhydrylimino-1-(3-fluorophenyl)ethanone?
The InChIKey is UGHUCXZZYWNODX-HZHRSRAPSA-N. The full InChI is InChI=1S/C21H16FNO/c22-19-13-7-12-18(14-19)20(24)15-23-21(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-15,21H/b23-15+.
What are the key properties of 2-benzhydrylimino-1-(3-fluorophenyl)ethanone?
2-benzhydrylimino-1-(3-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-(3-fluorophenyl)ethanone is sourced from PubChem (CID 139818856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).