5-fluoro-N'-hydroxy-2-(2,3,5-trimethylphenoxy)benzenecarboximidamide

C16H17FN2O2 — CID 77004548

IUPAC5-fluoro-N'-hydroxy-2-(2,3,5-trimethylphenoxy)benzenecarboximidamide
SMILESCc1cc(C)c(C)c(Oc2ccc(F)cc2C(N)=NO)c1
InChIInChI=1S/C16H17FN2O2/c1-9-6-10(2)11(3)15(7-9)21-14-5-4-12(17)8-13(14)16(18)19-20/h4-8,20H,1-3H3,(H2,18,19)
InChIKeyVJMJSGLPZNVOFQ-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.64
Rot. Bonds3

About 5-fluoro-N'-hydroxy-2-(2,3,5-trimethylphenoxy)benzenecarboximidamide

5-fluoro-N'-hydroxy-2-(2,3,5-trimethylphenoxy)benzenecarboximidamide (PubChem CID 77004548) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 5-fluoro-N'-hydroxy-2-(2,3,5-trimethylphenoxy)benzenecarboximidamide.

Molecular Properties

Compound Name5-fluoro-N'-hydroxy-2-(2,3,5-trimethylphenoxy)benzenecarboximidamide
PubChem CID77004548
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name5-fluoro-N'-hydroxy-2-(2,3,5-trimethylphenoxy)benzenecarboximidamide
SMILESCc1cc(C)c(C)c(Oc2ccc(F)cc2C(N)=NO)c1
InChIInChI=1S/C16H17FN2O2/c1-9-6-10(2)11(3)15(7-9)21-14-5-4-12(17)8-13(14)16(18)19-20/h4-8,20H,1-3H3,(H2,18,19)
InChIKeyVJMJSGLPZNVOFQ-UHFFFAOYSA-N
XLogP3.64
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.64
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'}

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Related Compounds

2-(3,5-dimethylphenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004432
2-(2-chloro-4-methylphenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004117
2-(2,4-difluorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930131
5-bromo-2-(4-fluoro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 114892801
2-(2,3-dimethylphenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930140
5-bromo-2-(5-fluoro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 102981960
2-(4-chloro-3-methylphenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004510
2-(2-bromophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004436
2-(2-chlorophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 55232502
5-chloro-2-(2,5-difluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 76992475
[5-fluoro-2-(2,3,5-trimethylphenoxy)phenyl]methanamine
CID 43314321
1-[5-fluoro-2-(2,3,5-trimethylphenoxy)phenyl]ethanamine
CID 43118097

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N'-hydroxy-2-(2,3,5-trimethylphenoxy)benzenecarboximidamide?
The IUPAC name of 5-fluoro-N'-hydroxy-2-(2,3,5-trimethylphenoxy)benzenecarboximidamide (CID 77004548) is 5-fluoro-N'-hydroxy-2-(2,3,5-trimethylphenoxy)benzenecarboximidamide.
What is the SMILES notation for 5-fluoro-N'-hydroxy-2-(2,3,5-trimethylphenoxy)benzenecarboximidamide?
The canonical SMILES for 5-fluoro-N'-hydroxy-2-(2,3,5-trimethylphenoxy)benzenecarboximidamide is Cc1cc(C)c(C)c(Oc2ccc(F)cc2C(N)=NO)c1.
What is the InChIKey of 5-fluoro-N'-hydroxy-2-(2,3,5-trimethylphenoxy)benzenecarboximidamide?
The InChIKey is VJMJSGLPZNVOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-9-6-10(2)11(3)15(7-9)21-14-5-4-12(17)8-13(14)16(18)19-20/h4-8,20H,1-3H3,(H2,18,19).
What are the key properties of 5-fluoro-N'-hydroxy-2-(2,3,5-trimethylphenoxy)benzenecarboximidamide?
5-fluoro-N'-hydroxy-2-(2,3,5-trimethylphenoxy)benzenecarboximidamide has a molecular weight of 288.32 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N'-hydroxy-2-(2,3,5-trimethylphenoxy)benzenecarboximidamide is sourced from PubChem (CID 77004548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).