3-[(4-fluorophenyl)methylimino]-1-(4-methoxyphenyl)propan-1-one

C17H16FNO2 — CID 7119778

IUPAC3-[(4-fluorophenyl)methylimino]-1-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(C(=O)C/C=N/Cc2ccc(F)cc2)cc1
InChIInChI=1S/C17H16FNO2/c1-21-16-8-4-14(5-9-16)17(20)10-11-19-12-13-2-6-15(18)7-3-13/h2-9,11H,10,12H2,1H3/b19-11+
InChIKeyIXRYSAWGSHSBAA-YBFXNURJSA-N
MW285.32 g/mol
LogP3.68
Rot. Bonds6

About 3-[(4-fluorophenyl)methylimino]-1-(4-methoxyphenyl)propan-1-one

3-[(4-fluorophenyl)methylimino]-1-(4-methoxyphenyl)propan-1-one (PubChem CID 7119778) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methylimino]-1-(4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methylimino]-1-(4-methoxyphenyl)propan-1-one
PubChem CID7119778
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name3-[(4-fluorophenyl)methylimino]-1-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(C(=O)C/C=N/Cc2ccc(F)cc2)cc1
InChIInChI=1S/C17H16FNO2/c1-21-16-8-4-14(5-9-16)17(20)10-11-19-12-13-2-6-15(18)7-3-13/h2-9,11H,10,12H2,1H3/b19-11+
InChIKeyIXRYSAWGSHSBAA-YBFXNURJSA-N
XLogP3.68
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-fluorophenyl)-1-(4-methoxyphenyl)propan-1-one
CID 11586950
2-[(4-fluorophenyl)methyl-methylamino]-1-(4-methoxyphenyl)ethanone
CID 60650628
1-(4-fluorophenyl)-2-[2-(4-methoxyphenyl)ethylamino]ethanone
CID 82101484
4-[[3-(4-methoxyphenyl)-3-oxopropylidene]amino]benzoic acid
CID 7584169
N-benzyl-2-(4-methoxyphenyl)ethanimine
CID 71336415
methyl 2-(4-fluorophenyl)-2-(4-methoxyphenyl)iminoacetate
CID 135079465
N'-(2,6-difluoro-4-methoxyphenyl)-3-(4-fluorophenyl)-3-oxopropanimidamide
CID 58608525
1-(4-ethylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione
CID 18428800
methyl 2-[[3-(4-methoxyphenyl)-3-oxopropylidene]amino]benzoate
CID 4062869
N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 108538633
3-(4-methoxyphenyl)-N-methyl-3-oxopropan-1-imine oxide
CID 10035920
2-[[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone
CID 1272993

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methylimino]-1-(4-methoxyphenyl)propan-1-one?
The IUPAC name of 3-[(4-fluorophenyl)methylimino]-1-(4-methoxyphenyl)propan-1-one (CID 7119778) is 3-[(4-fluorophenyl)methylimino]-1-(4-methoxyphenyl)propan-1-one.
What is the SMILES notation for 3-[(4-fluorophenyl)methylimino]-1-(4-methoxyphenyl)propan-1-one?
The canonical SMILES for 3-[(4-fluorophenyl)methylimino]-1-(4-methoxyphenyl)propan-1-one is COc1ccc(C(=O)C/C=N/Cc2ccc(F)cc2)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methylimino]-1-(4-methoxyphenyl)propan-1-one?
The InChIKey is IXRYSAWGSHSBAA-YBFXNURJSA-N. The full InChI is InChI=1S/C17H16FNO2/c1-21-16-8-4-14(5-9-16)17(20)10-11-19-12-13-2-6-15(18)7-3-13/h2-9,11H,10,12H2,1H3/b19-11+.
What are the key properties of 3-[(4-fluorophenyl)methylimino]-1-(4-methoxyphenyl)propan-1-one?
3-[(4-fluorophenyl)methylimino]-1-(4-methoxyphenyl)propan-1-one has a molecular weight of 285.32 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methylimino]-1-(4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 7119778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).