2-fluoro-N'-hydroxy-6-(2-methoxy-4-methylphenoxy)benzenecarboximidamide

C15H15FN2O3 — CID 79517129

IUPAC2-fluoro-N'-hydroxy-6-(2-methoxy-4-methylphenoxy)benzenecarboximidamide
SMILESCOc1cc(C)ccc1Oc1cccc(F)c1C(N)=NO
InChIInChI=1S/C15H15FN2O3/c1-9-6-7-11(13(8-9)20-2)21-12-5-3-4-10(16)14(12)15(17)18-19/h3-8,19H,1-2H3,(H2,17,18)
InChIKeyVNQXQFIJHKCCBF-UHFFFAOYSA-N
MW290.29 g/mol
LogP3.03
Rot. Bonds4

About 2-fluoro-N'-hydroxy-6-(2-methoxy-4-methylphenoxy)benzenecarboximidamide

2-fluoro-N'-hydroxy-6-(2-methoxy-4-methylphenoxy)benzenecarboximidamide (PubChem CID 79517129) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is 2-fluoro-N'-hydroxy-6-(2-methoxy-4-methylphenoxy)benzenecarboximidamide.

Molecular Properties

Compound Name2-fluoro-N'-hydroxy-6-(2-methoxy-4-methylphenoxy)benzenecarboximidamide
PubChem CID79517129
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Name2-fluoro-N'-hydroxy-6-(2-methoxy-4-methylphenoxy)benzenecarboximidamide
SMILESCOc1cc(C)ccc1Oc1cccc(F)c1C(N)=NO
InChIInChI=1S/C15H15FN2O3/c1-9-6-7-11(13(8-9)20-2)21-12-5-3-4-10(16)14(12)15(17)18-19/h3-8,19H,1-2H3,(H2,17,18)
InChIKeyVNQXQFIJHKCCBF-UHFFFAOYSA-N
XLogP3.03
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 53.03
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

3-fluoro-N'-hydroxy-4-(2-methoxy-4-methylphenoxy)benzenecarboximidamide
CID 43658276
1-[2-(bromomethyl)-3-fluorophenoxy]-2-methoxy-4-methylbenzene
CID 114065514
1-[2-fluoro-6-(2-methoxy-4-methylphenoxy)phenyl]ethanol
CID 43506269
2-fluoro-6-(4-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 79519799
2-bromo-N'-hydroxy-6-(2-methoxyphenoxy)benzenecarboximidamide
CID 114883406
2-fluoro-N'-hydroxy-6-[3-(methoxymethyl)phenoxy]benzenecarboximidamide
CID 79517922
2-(4-chlorophenoxy)-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 79519262
2,6-difluoro-N'-hydroxy-3-methoxybenzenecarboximidamide
CID 59591431
2-fluoro-N'-hydroxy-6-propan-2-yloxybenzenecarboximidamide
CID 74881969
N'-hydroxy-2,6-dimethoxy-4-methylbenzenecarboximidamide
CID 19437932
2,6-difluoro-N'-hydroxybenzenecarboximidamide
CID 3492978
2-(2,4-difluorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930131

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N'-hydroxy-6-(2-methoxy-4-methylphenoxy)benzenecarboximidamide?
The IUPAC name of 2-fluoro-N'-hydroxy-6-(2-methoxy-4-methylphenoxy)benzenecarboximidamide (CID 79517129) is 2-fluoro-N'-hydroxy-6-(2-methoxy-4-methylphenoxy)benzenecarboximidamide.
What is the SMILES notation for 2-fluoro-N'-hydroxy-6-(2-methoxy-4-methylphenoxy)benzenecarboximidamide?
The canonical SMILES for 2-fluoro-N'-hydroxy-6-(2-methoxy-4-methylphenoxy)benzenecarboximidamide is COc1cc(C)ccc1Oc1cccc(F)c1C(N)=NO.
What is the InChIKey of 2-fluoro-N'-hydroxy-6-(2-methoxy-4-methylphenoxy)benzenecarboximidamide?
The InChIKey is VNQXQFIJHKCCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c1-9-6-7-11(13(8-9)20-2)21-12-5-3-4-10(16)14(12)15(17)18-19/h3-8,19H,1-2H3,(H2,17,18).
What are the key properties of 2-fluoro-N'-hydroxy-6-(2-methoxy-4-methylphenoxy)benzenecarboximidamide?
2-fluoro-N'-hydroxy-6-(2-methoxy-4-methylphenoxy)benzenecarboximidamide has a molecular weight of 290.29 g/mol, XLogP of 3.03, 4 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-(2-methoxy-4-methylphenoxy)benzenecarboximidamide is sourced from PubChem (CID 79517129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).