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

C14H12BrFN2O2 — CID 107279072

IUPAC2-bromo-4-(3-fluoro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide
SMILESCc1ccc(Oc2ccc(/C(N)=N/O)c(Br)c2)cc1F
InChIInChI=1S/C14H12BrFN2O2/c1-8-2-3-10(7-13(8)16)20-9-4-5-11(12(15)6-9)14(17)18-19/h2-7,19H,1H3,(H2,17,18)
InChIKeyOWWZTSNFDZENDX-UHFFFAOYSA-N
MW339.16 g/mol
LogP3.78
Rot. Bonds3

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

2-bromo-4-(3-fluoro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide (PubChem CID 107279072) has the molecular formula C14H12BrFN2O2 and a molecular weight of 339.16 g/mol. Its IUPAC name is 2-bromo-4-(3-fluoro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-4-(3-fluoro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide
PubChem CID107279072
Molecular FormulaC14H12BrFN2O2
Molecular Weight339.16 g/mol
Exact Mass338.01
IUPAC Name2-bromo-4-(3-fluoro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide
SMILESCc1ccc(Oc2ccc(/C(N)=N/O)c(Br)c2)cc1F
InChIInChI=1S/C14H12BrFN2O2/c1-8-2-3-10(7-13(8)16)20-9-4-5-11(12(15)6-9)14(17)18-19/h2-7,19H,1H3,(H2,17,18)
InChIKeyOWWZTSNFDZENDX-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-(3,5-difluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 107279000
2-(3-fluoro-4-methylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 107169383
2-bromo-6-(3-fluoro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 107169381
4-(3,4-dimethylphenoxy)-N'-hydroxy-2-methylbenzenecarboximidamide
CID 81277438
3,5-difluoro-4-(3-fluoro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 107169391
2-bromo-N'-hydroxy-4-(4-propylphenoxy)benzenecarboximidamide
CID 107278998
N'-hydroxy-4-(4-methoxyphenoxy)-2-methylbenzenecarboximidamide
CID 81277967
2-bromo-4-(4-bromo-3-methylphenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 107536246
2-bromo-N'-hydroxy-4-(2-hydroxyethoxy)benzenecarboximidamide
CID 107278941
2-bromo-4-fluoro-N'-hydroxybenzenecarboximidamide
CID 107275304
2-chloro-4-(4-chloro-3-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 82717050
2-bromo-4-(4-bromo-2,5-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 107658343

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(3-fluoro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-bromo-4-(3-fluoro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide (CID 107279072) is 2-bromo-4-(3-fluoro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-bromo-4-(3-fluoro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-bromo-4-(3-fluoro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide is Cc1ccc(Oc2ccc(/C(N)=N/O)c(Br)c2)cc1F.
What is the InChIKey of 2-bromo-4-(3-fluoro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide?
The InChIKey is OWWZTSNFDZENDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O2/c1-8-2-3-10(7-13(8)16)20-9-4-5-11(12(15)6-9)14(17)18-19/h2-7,19H,1H3,(H2,17,18).
What are the key properties of 2-bromo-4-(3-fluoro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide?
2-bromo-4-(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-4-(3-fluoro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 107279072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).