2-(4-bromo-2-methylphenoxy)-N'-hydroxy-4-methylbenzenecarboximidamide

C15H15BrN2O2 — CID 76987267

IUPAC2-(4-bromo-2-methylphenoxy)-N'-hydroxy-4-methylbenzenecarboximidamide
SMILESCc1ccc(C(N)=NO)c(Oc2ccc(Br)cc2C)c1
InChIInChI=1S/C15H15BrN2O2/c1-9-3-5-12(15(17)18-19)14(7-9)20-13-6-4-11(16)8-10(13)2/h3-8,19H,1-2H3,(H2,17,18)
InChIKeyLZXANPUVLARBRQ-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.95
Rot. Bonds3

About 2-(4-bromo-2-methylphenoxy)-N'-hydroxy-4-methylbenzenecarboximidamide

2-(4-bromo-2-methylphenoxy)-N'-hydroxy-4-methylbenzenecarboximidamide (PubChem CID 76987267) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 2-(4-bromo-2-methylphenoxy)-N'-hydroxy-4-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-(4-bromo-2-methylphenoxy)-N'-hydroxy-4-methylbenzenecarboximidamide
PubChem CID76987267
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name2-(4-bromo-2-methylphenoxy)-N'-hydroxy-4-methylbenzenecarboximidamide
SMILESCc1ccc(C(N)=NO)c(Oc2ccc(Br)cc2C)c1
InChIInChI=1S/C15H15BrN2O2/c1-9-3-5-12(15(17)18-19)14(7-9)20-13-6-4-11(16)8-10(13)2/h3-8,19H,1-2H3,(H2,17,18)
InChIKeyLZXANPUVLARBRQ-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-(4-bromo-2-chlorophenoxy)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76938807
4-bromo-2-(5-bromo-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 107284634
2-(2-bromophenoxy)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76938982
5-bromo-2-(4-chloro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 114892706
5-bromo-2-(4-fluoro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 114892801
N'-hydroxy-4-methyl-2-(4-methylphenoxy)benzenecarboximidamide
CID 55056871
2-(5-bromo-2-chlorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930220
5-bromo-N'-hydroxy-2-(4-methylphenoxy)benzenecarboximidamide
CID 114892715
4-bromo-2-(5-bromo-2-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 114904369
2-(4-fluorophenoxy)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76939029
5-bromo-2-(2,3-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 114892727
5-chloro-2-(2-chloro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 76953392

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylphenoxy)-N'-hydroxy-4-methylbenzenecarboximidamide?
The IUPAC name of 2-(4-bromo-2-methylphenoxy)-N'-hydroxy-4-methylbenzenecarboximidamide (CID 76987267) is 2-(4-bromo-2-methylphenoxy)-N'-hydroxy-4-methylbenzenecarboximidamide.
What is the SMILES notation for 2-(4-bromo-2-methylphenoxy)-N'-hydroxy-4-methylbenzenecarboximidamide?
The canonical SMILES for 2-(4-bromo-2-methylphenoxy)-N'-hydroxy-4-methylbenzenecarboximidamide is Cc1ccc(C(N)=NO)c(Oc2ccc(Br)cc2C)c1.
What is the InChIKey of 2-(4-bromo-2-methylphenoxy)-N'-hydroxy-4-methylbenzenecarboximidamide?
The InChIKey is LZXANPUVLARBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-9-3-5-12(15(17)18-19)14(7-9)20-13-6-4-11(16)8-10(13)2/h3-8,19H,1-2H3,(H2,17,18).
What are the key properties of 2-(4-bromo-2-methylphenoxy)-N'-hydroxy-4-methylbenzenecarboximidamide?
2-(4-bromo-2-methylphenoxy)-N'-hydroxy-4-methylbenzenecarboximidamide 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 2-(4-bromo-2-methylphenoxy)-N'-hydroxy-4-methylbenzenecarboximidamide is sourced from PubChem (CID 76987267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).