N-[(4-ethylphenyl)methylideneamino]-2-fluorobenzamide

C16H15FN2O — CID 2593298

IUPACN-[(4-ethylphenyl)methylideneamino]-2-fluorobenzamide
SMILESCCc1ccc(C=NNC(=O)c2ccccc2F)cc1
InChIInChI=1S/C16H15FN2O/c1-2-12-7-9-13(10-8-12)11-18-19-16(20)14-5-3-4-6-15(14)17/h3-11H,2H2,1H3,(H,19,20)
InChIKeySAHNJGGZLWYHCG-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.15
Rot. Bonds4

About N-[(4-ethylphenyl)methylideneamino]-2-fluorobenzamide

N-[(4-ethylphenyl)methylideneamino]-2-fluorobenzamide (PubChem CID 2593298) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methylideneamino]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methylideneamino]-2-fluorobenzamide
PubChem CID2593298
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC NameN-[(4-ethylphenyl)methylideneamino]-2-fluorobenzamide
SMILESCCc1ccc(C=NNC(=O)c2ccccc2F)cc1
InChIInChI=1S/C16H15FN2O/c1-2-12-7-9-13(10-8-12)11-18-19-16(20)14-5-3-4-6-15(14)17/h3-11H,2H2,1H3,(H,19,20)
InChIKeySAHNJGGZLWYHCG-UHFFFAOYSA-N
XLogP3.15
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-ethylphenyl)methylideneamino]naphthalene-1-carboxamide
CID 4249042
[4-[(E)-[(2-fluorobenzoyl)hydrazinylidene]methyl]phenyl] benzoate
CID 25252626
N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-fluorobenzamide
CID 773930
2-fluoro-N-[(E)-(3-methylphenyl)methylideneamino]benzamide
CID 6907981
N-[(5-ethylthiophen-2-yl)methylideneamino]-2-fluorobenzamide
CID 5157104
[4-[[(2-fluorobenzoyl)hydrazinylidene]methyl]phenyl] 2-bromobenzoate
CID 3766798
2-fluoro-N-[(2-fluorophenyl)methylideneamino]benzamide
CID 2593233
1-benzyl-N-[(Z)-(4-ethylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110523905
N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-fluorobenzamide
CID 6907962
N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-fluorobenzamide
CID 4646183
2-fluoro-N-(furan-3-ylmethylideneamino)benzamide
CID 24819065
2-fluoro-N-[(4-morpholin-4-ylphenyl)methylideneamino]benzamide
CID 2330481

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methylideneamino]-2-fluorobenzamide?
The IUPAC name of N-[(4-ethylphenyl)methylideneamino]-2-fluorobenzamide (CID 2593298) is N-[(4-ethylphenyl)methylideneamino]-2-fluorobenzamide.
What is the SMILES notation for N-[(4-ethylphenyl)methylideneamino]-2-fluorobenzamide?
The canonical SMILES for N-[(4-ethylphenyl)methylideneamino]-2-fluorobenzamide is CCc1ccc(C=NNC(=O)c2ccccc2F)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methylideneamino]-2-fluorobenzamide?
The InChIKey is SAHNJGGZLWYHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c1-2-12-7-9-13(10-8-12)11-18-19-16(20)14-5-3-4-6-15(14)17/h3-11H,2H2,1H3,(H,19,20).
What are the key properties of N-[(4-ethylphenyl)methylideneamino]-2-fluorobenzamide?
N-[(4-ethylphenyl)methylideneamino]-2-fluorobenzamide has a molecular weight of 270.31 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methylideneamino]-2-fluorobenzamide is sourced from PubChem (CID 2593298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).