2-(3,5-dimethylphenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide

C15H15FN2O2 — CID 77004432

IUPAC2-(3,5-dimethylphenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCc1cc(C)cc(Oc2ccc(F)cc2C(N)=NO)c1
InChIInChI=1S/C15H15FN2O2/c1-9-5-10(2)7-12(6-9)20-14-4-3-11(16)8-13(14)15(17)18-19/h3-8,19H,1-2H3,(H2,17,18)
InChIKeyZBCWVOZSPCRULD-UHFFFAOYSA-N
MW274.30 g/mol
LogP3.33
Rot. Bonds3

About 2-(3,5-dimethylphenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide

2-(3,5-dimethylphenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 77004432) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID77004432
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name2-(3,5-dimethylphenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCc1cc(C)cc(Oc2ccc(F)cc2C(N)=NO)c1
InChIInChI=1S/C15H15FN2O2/c1-9-5-10(2)7-12(6-9)20-14-4-3-11(16)8-13(14)15(17)18-19/h3-8,19H,1-2H3,(H2,17,18)
InChIKeyZBCWVOZSPCRULD-UHFFFAOYSA-N
XLogP3.33
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-(3,5-dimethylphenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide 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

5-fluoro-N'-hydroxy-2-(2,3,5-trimethylphenoxy)benzenecarboximidamide
CID 77004548
2-(3-bromo-5-fluorophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 81331722
2-(4-chloro-3-methylphenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004510
5-fluoro-N'-hydroxy-2-(3-methoxyphenoxy)benzenecarboximidamide
CID 77004508
2-(2-chloro-4-methylphenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004117
2-(2,4-difluorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930131
2-(3-bromo-5-fluorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930240
2-(3-chloro-4-fluorophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77010316
2-(2-chlorophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 55232502
2-(2-bromophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004436
2-(4-fluorophenoxy)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76939029
5-bromo-2-(4-fluoro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 114892801

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-(3,5-dimethylphenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide (CID 77004432) is 2-(3,5-dimethylphenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide is Cc1cc(C)cc(Oc2ccc(F)cc2C(N)=NO)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is ZBCWVOZSPCRULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-9-5-10(2)7-12(6-9)20-14-4-3-11(16)8-13(14)15(17)18-19/h3-8,19H,1-2H3,(H2,17,18).
What are the key properties of 2-(3,5-dimethylphenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide?
2-(3,5-dimethylphenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 274.30 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 77004432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).