4-(4-ethoxyphenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide

C15H15FN2O3 — CID 43658351

IUPAC4-(4-ethoxyphenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCCOc1ccc(Oc2ccc(/C(N)=N/O)cc2F)cc1
InChIInChI=1S/C15H15FN2O3/c1-2-20-11-4-6-12(7-5-11)21-14-8-3-10(9-13(14)16)15(17)18-19/h3-9,19H,2H2,1H3,(H2,17,18)
InChIKeyRUEMAGRDUDJYDW-UHFFFAOYSA-N
MW290.29 g/mol
LogP3.11
Rot. Bonds5

About 4-(4-ethoxyphenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide

4-(4-ethoxyphenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 43658351) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is 4-(4-ethoxyphenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-(4-ethoxyphenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID43658351
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Name4-(4-ethoxyphenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCCOc1ccc(Oc2ccc(/C(N)=N/O)cc2F)cc1
InChIInChI=1S/C15H15FN2O3/c1-2-20-11-4-6-12(7-5-11)21-14-8-3-10(9-13(14)16)15(17)18-19/h3-9,19H,2H2,1H3,(H2,17,18)
InChIKeyRUEMAGRDUDJYDW-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
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

4-(4-ethoxyphenoxy)-N'-hydroxybenzenecarboximidamide
CID 43188257
4-(3-ethoxypropoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 107666346
4-(2,4-difluorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43658337
4-ethoxy-N'-hydroxy-3-methoxybenzenecarboximidamide
CID 6014558
4-ethoxy-N'-hydroxy-3-methylbenzenecarboximidamide
CID 60929088
4-(2-fluoro-4-nitrophenoxy)-N'-hydroxybenzenecarboximidamide
CID 61038210
4-[(4-ethoxyphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 24690580
3-bromo-4-ethoxy-N'-hydroxybenzenecarboximidamide
CID 82799087
3-fluoro-N'-hydroxy-4-(2-methoxy-4-methylphenoxy)benzenecarboximidamide
CID 43658276
4-[(2,6-dimethylphenyl)methoxy]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 107666471
4-(difluoromethoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 107666402
4-(2-bromo-4-chlorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43658275

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-(4-ethoxyphenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide (CID 43658351) is 4-(4-ethoxyphenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-(4-ethoxyphenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-(4-ethoxyphenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide is CCOc1ccc(Oc2ccc(/C(N)=N/O)cc2F)cc1.
What is the InChIKey of 4-(4-ethoxyphenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is RUEMAGRDUDJYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c1-2-20-11-4-6-12(7-5-11)21-14-8-3-10(9-13(14)16)15(17)18-19/h3-9,19H,2H2,1H3,(H2,17,18).
What are the key properties of 4-(4-ethoxyphenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide?
4-(4-ethoxyphenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 290.29 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 43658351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).