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

C15H15BrN2O2 — CID 114892727

IUPAC5-bromo-2-(2,3-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide
SMILESCc1cccc(Oc2ccc(Br)cc2/C(N)=N/O)c1C
InChIInChI=1S/C15H15BrN2O2/c1-9-4-3-5-13(10(9)2)20-14-7-6-11(16)8-12(14)15(17)18-19/h3-8,19H,1-2H3,(H2,17,18)
InChIKeyHBCFHQJQFIXZPE-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.95
Rot. Bonds3

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

5-bromo-2-(2,3-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide (PubChem CID 114892727) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 5-bromo-2-(2,3-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name5-bromo-2-(2,3-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide
PubChem CID114892727
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name5-bromo-2-(2,3-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide
SMILESCc1cccc(Oc2ccc(Br)cc2/C(N)=N/O)c1C
InChIInChI=1S/C15H15BrN2O2/c1-9-4-3-5-13(10(9)2)20-14-7-6-11(16)8-12(14)15(17)18-19/h3-8,19H,1-2H3,(H2,17,18)
InChIKeyHBCFHQJQFIXZPE-UHFFFAOYSA-N
XLogP3.95
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.95
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-(2,3-dimethylphenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930140
5-bromo-2-(4-fluoro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 114892801
5-bromo-2-(2-bromophenoxy)-N'-hydroxybenzenecarboximidamide
CID 114892710
5-bromo-2-(5-fluoro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 102981960
5-bromo-2-(4-chloro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 114892706
5-bromo-N'-hydroxy-2-(4-methylphenoxy)benzenecarboximidamide
CID 114892715
5-bromo-2-(2,3-dimethylphenoxy)aniline
CID 26190424
4-bromo-2-(5-bromo-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 107284634
2-(5-bromo-2-chlorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930220
2-(4-bromo-2-methylphenoxy)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76987267
5-bromo-2-(3,5-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 114892753
5-fluoro-N'-hydroxy-2-(2,3,5-trimethylphenoxy)benzenecarboximidamide
CID 77004548

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2,3-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 5-bromo-2-(2,3-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide (CID 114892727) is 5-bromo-2-(2,3-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 5-bromo-2-(2,3-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 5-bromo-2-(2,3-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide is Cc1cccc(Oc2ccc(Br)cc2/C(N)=N/O)c1C.
What is the InChIKey of 5-bromo-2-(2,3-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide?
The InChIKey is HBCFHQJQFIXZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-9-4-3-5-13(10(9)2)20-14-7-6-11(16)8-12(14)15(17)18-19/h3-8,19H,1-2H3,(H2,17,18).
What are the key properties of 5-bromo-2-(2,3-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide?
5-bromo-2-(2,3-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide has a molecular weight of 335.20 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2,3-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 114892727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).