2-fluoro-N'-hydroxy-6-[3-(methoxymethyl)phenoxy]benzenecarboximidamide

C15H15FN2O3 — CID 79517922

IUPAC2-fluoro-N'-hydroxy-6-[3-(methoxymethyl)phenoxy]benzenecarboximidamide
SMILESCOCc1cccc(Oc2cccc(F)c2C(N)=NO)c1
InChIInChI=1S/C15H15FN2O3/c1-20-9-10-4-2-5-11(8-10)21-13-7-3-6-12(16)14(13)15(17)18-19/h2-8,19H,9H2,1H3,(H2,17,18)
InChIKeyGYDQXCAOXOYLKP-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.86
Rot. Bonds5

About 2-fluoro-N'-hydroxy-6-[3-(methoxymethyl)phenoxy]benzenecarboximidamide

2-fluoro-N'-hydroxy-6-[3-(methoxymethyl)phenoxy]benzenecarboximidamide (PubChem CID 79517922) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is 2-fluoro-N'-hydroxy-6-[3-(methoxymethyl)phenoxy]benzenecarboximidamide.

Molecular Properties

Compound Name2-fluoro-N'-hydroxy-6-[3-(methoxymethyl)phenoxy]benzenecarboximidamide
PubChem CID79517922
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Name2-fluoro-N'-hydroxy-6-[3-(methoxymethyl)phenoxy]benzenecarboximidamide
SMILESCOCc1cccc(Oc2cccc(F)c2C(N)=NO)c1
InChIInChI=1S/C15H15FN2O3/c1-20-9-10-4-2-5-11(8-10)21-13-7-3-6-12(16)14(13)15(17)18-19/h2-8,19H,9H2,1H3,(H2,17,18)
InChIKeyGYDQXCAOXOYLKP-UHFFFAOYSA-N
XLogP2.86
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-6-[3-(methoxymethyl)phenoxy]benzenecarboximidamide
CID 79523185
2-fluoro-6-(4-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 79519799
1-[2-fluoro-6-[3-(methoxymethyl)phenoxy]phenyl]ethanamine
CID 63986975
2-(4-chlorophenoxy)-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 79519262
2-fluoro-N'-hydroxy-6-[(4-methoxyphenyl)methoxy]benzenecarboximidamide
CID 74881945
2-fluoro-N'-hydroxy-6-(2-methoxy-4-methylphenoxy)benzenecarboximidamide
CID 79517129
5-fluoro-2-methoxy-4-[3-(methoxymethyl)phenoxy]aniline
CID 107259906
N'-hydroxy-2-[3-(methoxymethyl)phenoxy]pyrimidine-4-carboximidamide
CID 136907355
2-fluoro-N'-hydroxy-6-(2-phenoxyethoxy)benzenecarboximidamide
CID 76914452
2-amino-3-[3-(methoxymethyl)phenoxy]benzamide
CID 115547294
[2-[3-(methoxymethyl)phenoxy]phenyl]methanamine
CID 63986542
2-(3-ethylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 43200048

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N'-hydroxy-6-[3-(methoxymethyl)phenoxy]benzenecarboximidamide?
The IUPAC name of 2-fluoro-N'-hydroxy-6-[3-(methoxymethyl)phenoxy]benzenecarboximidamide (CID 79517922) is 2-fluoro-N'-hydroxy-6-[3-(methoxymethyl)phenoxy]benzenecarboximidamide.
What is the SMILES notation for 2-fluoro-N'-hydroxy-6-[3-(methoxymethyl)phenoxy]benzenecarboximidamide?
The canonical SMILES for 2-fluoro-N'-hydroxy-6-[3-(methoxymethyl)phenoxy]benzenecarboximidamide is COCc1cccc(Oc2cccc(F)c2C(N)=NO)c1.
What is the InChIKey of 2-fluoro-N'-hydroxy-6-[3-(methoxymethyl)phenoxy]benzenecarboximidamide?
The InChIKey is GYDQXCAOXOYLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c1-20-9-10-4-2-5-11(8-10)21-13-7-3-6-12(16)14(13)15(17)18-19/h2-8,19H,9H2,1H3,(H2,17,18).
What are the key properties of 2-fluoro-N'-hydroxy-6-[3-(methoxymethyl)phenoxy]benzenecarboximidamide?
2-fluoro-N'-hydroxy-6-[3-(methoxymethyl)phenoxy]benzenecarboximidamide has a molecular weight of 290.29 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-hydroxy-6-[3-(methoxymethyl)phenoxy]benzenecarboximidamide is sourced from PubChem (CID 79517922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).