3-fluoro-N'-hydroxy-4-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide

C15H15FN2O3 — CID 107712561

IUPAC3-fluoro-N'-hydroxy-4-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
SMILESN/C(=N/O)c1ccc(Oc2ccccc2CCO)c(F)c1
InChIInChI=1S/C15H15FN2O3/c16-12-9-11(15(17)18-20)5-6-14(12)21-13-4-2-1-3-10(13)7-8-19/h1-6,9,19-20H,7-8H2,(H2,17,18)
InChIKeyMAUKVSCPUCWQNJ-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.25
Rot. Bonds5

About 3-fluoro-N'-hydroxy-4-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide

3-fluoro-N'-hydroxy-4-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide (PubChem CID 107712561) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is 3-fluoro-N'-hydroxy-4-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide.

Molecular Properties

Compound Name3-fluoro-N'-hydroxy-4-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
PubChem CID107712561
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Name3-fluoro-N'-hydroxy-4-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
SMILESN/C(=N/O)c1ccc(Oc2ccccc2CCO)c(F)c1
InChIInChI=1S/C15H15FN2O3/c16-12-9-11(15(17)18-20)5-6-14(12)21-13-4-2-1-3-10(13)7-8-19/h1-6,9,19-20H,7-8H2,(H2,17,18)
InChIKeyMAUKVSCPUCWQNJ-UHFFFAOYSA-N
XLogP2.25
TPSA88.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.25
H-Bond Donors ≤ 53
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'}

Analyze 3-fluoro-N'-hydroxy-4-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-hydroxy-4-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107712587
4-(2,4-difluorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43658337
3-bromo-N'-hydroxy-4-[2-(hydroxymethyl)phenoxy]benzenecarboximidamide
CID 82799625
3-bromo-4-(2-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 82800024
4-(2-bromo-4-chlorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43658275
4-(4-ethoxyphenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43658351
3-fluoro-N'-hydroxy-4-(2-methoxy-4-methylphenoxy)benzenecarboximidamide
CID 43658276
3-fluoro-N'-hydroxy-4-(hydroxymethyl)benzenecarboximidamide
CID 50941129
4-(difluoromethoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 107666402
2-[2-[2-(aminomethyl)-4-methylphenoxy]phenyl]ethanol
CID 107926570
3-amino-4-[2-(2-hydroxyethyl)phenoxy]benzoic acid
CID 107713832
4-(2-ethylphenoxy)-3-fluorobenzenecarboximidamide
CID 43658562

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N'-hydroxy-4-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide?
The IUPAC name of 3-fluoro-N'-hydroxy-4-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide (CID 107712561) is 3-fluoro-N'-hydroxy-4-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide.
What is the SMILES notation for 3-fluoro-N'-hydroxy-4-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide?
The canonical SMILES for 3-fluoro-N'-hydroxy-4-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide is N/C(=N/O)c1ccc(Oc2ccccc2CCO)c(F)c1.
What is the InChIKey of 3-fluoro-N'-hydroxy-4-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide?
The InChIKey is MAUKVSCPUCWQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c16-12-9-11(15(17)18-20)5-6-14(12)21-13-4-2-1-3-10(13)7-8-19/h1-6,9,19-20H,7-8H2,(H2,17,18).
What are the key properties of 3-fluoro-N'-hydroxy-4-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide?
3-fluoro-N'-hydroxy-4-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide has a molecular weight of 290.29 g/mol, XLogP of 2.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N'-hydroxy-4-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide is sourced from PubChem (CID 107712561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).