2-bromo-6-(3-fluoro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide

C14H12BrFN2O2 — CID 107169381

IUPAC2-bromo-6-(3-fluoro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide
SMILESCc1ccc(Oc2cccc(Br)c2/C(N)=N/O)cc1F
InChIInChI=1S/C14H12BrFN2O2/c1-8-5-6-9(7-11(8)16)20-12-4-2-3-10(15)13(12)14(17)18-19/h2-7,19H,1H3,(H2,17,18)
InChIKeyWYKXUQCHMZXLDO-UHFFFAOYSA-N
MW339.16 g/mol
LogP3.78
Rot. Bonds3

About 2-bromo-6-(3-fluoro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide

2-bromo-6-(3-fluoro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide (PubChem CID 107169381) has the molecular formula C14H12BrFN2O2 and a molecular weight of 339.16 g/mol. Its IUPAC name is 2-bromo-6-(3-fluoro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-6-(3-fluoro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide
PubChem CID107169381
Molecular FormulaC14H12BrFN2O2
Molecular Weight339.16 g/mol
Exact Mass338.01
IUPAC Name2-bromo-6-(3-fluoro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide
SMILESCc1ccc(Oc2cccc(Br)c2/C(N)=N/O)cc1F
InChIInChI=1S/C14H12BrFN2O2/c1-8-5-6-9(7-11(8)16)20-12-4-2-3-10(15)13(12)14(17)18-19/h2-7,19H,1H3,(H2,17,18)
InChIKeyWYKXUQCHMZXLDO-UHFFFAOYSA-N
XLogP3.78
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.16
LogP ≤ 53.78
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-bromo-4-(3-fluoro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 107279072
2-bromo-6-(2-bromo-5-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 114883547
2-bromo-6-(4-chloro-2,6-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 114883438
2-bromo-N'-hydroxy-6-(2-methoxyphenoxy)benzenecarboximidamide
CID 114883406
2-fluoro-6-(4-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 79519799
3,5-difluoro-4-(3-fluoro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 107169391
2-(4-chlorophenoxy)-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 79519262
2-(4-bromo-3-fluorophenoxy)-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
CID 77059488
2-bromo-6-(1-ethylpyrazol-4-yl)oxy-N'-hydroxybenzenecarboximidamide
CID 114883564
3-bromo-4-(3-fluoro-4-methylphenoxy)aniline
CID 107168516
2-fluoro-N'-hydroxy-6-[3-(methoxymethyl)phenoxy]benzenecarboximidamide
CID 79517922
2-(3-fluoro-4-methylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 107169383

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(3-fluoro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-bromo-6-(3-fluoro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide (CID 107169381) is 2-bromo-6-(3-fluoro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-bromo-6-(3-fluoro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-bromo-6-(3-fluoro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide is Cc1ccc(Oc2cccc(Br)c2/C(N)=N/O)cc1F.
What is the InChIKey of 2-bromo-6-(3-fluoro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide?
The InChIKey is WYKXUQCHMZXLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O2/c1-8-5-6-9(7-11(8)16)20-12-4-2-3-10(15)13(12)14(17)18-19/h2-7,19H,1H3,(H2,17,18).
What are the key properties of 2-bromo-6-(3-fluoro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide?
2-bromo-6-(3-fluoro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide has a molecular weight of 339.16 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(3-fluoro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 107169381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).