2-(5-bromo-2-chlorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide

C14H12BrClN2O2 — CID 107930220

IUPAC2-(5-bromo-2-chlorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
SMILESCc1ccc(Oc2cc(Br)ccc2Cl)c(/C(N)=N/O)c1
InChIInChI=1S/C14H12BrClN2O2/c1-8-2-5-12(10(6-8)14(17)18-19)20-13-7-9(15)3-4-11(13)16/h2-7,19H,1H3,(H2,17,18)
InChIKeyXUHUFUWWNXVAST-UHFFFAOYSA-N
MW355.62 g/mol
LogP4.30
Rot. Bonds3

About 2-(5-bromo-2-chlorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide

2-(5-bromo-2-chlorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide (PubChem CID 107930220) has the molecular formula C14H12BrClN2O2 and a molecular weight of 355.62 g/mol. Its IUPAC name is 2-(5-bromo-2-chlorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-(5-bromo-2-chlorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
PubChem CID107930220
Molecular FormulaC14H12BrClN2O2
Molecular Weight355.62 g/mol
Exact Mass353.98
IUPAC Name2-(5-bromo-2-chlorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
SMILESCc1ccc(Oc2cc(Br)ccc2Cl)c(/C(N)=N/O)c1
InChIInChI=1S/C14H12BrClN2O2/c1-8-2-5-12(10(6-8)14(17)18-19)20-13-7-9(15)3-4-11(13)16/h2-7,19H,1H3,(H2,17,18)
InChIKeyXUHUFUWWNXVAST-UHFFFAOYSA-N
XLogP4.30
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.62
LogP ≤ 54.30
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
2-(2-chlorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930089
5-chloro-2-(2-chloro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 76953392
5-bromo-N'-hydroxy-2-(4-methylphenoxy)benzenecarboximidamide
CID 114892715
2-(2-chloro-4-methylphenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004117
5-bromo-2-(4-chloro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 114892706
2-(2-bromo-4-methylphenoxy)-5-chloro-N'-hydroxybenzenecarboximidamide
CID 76944539
2-(4-bromo-2-methylphenoxy)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76987267
1-[5-bromo-2-(2-chloro-5-methylphenoxy)phenyl]ethanone
CID 82971994
2-(3-bromo-5-fluorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930240
5-bromo-2-(3,5-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 114892753
[2-(5-bromo-2-chlorophenoxy)-5-methylphenyl]methanamine
CID 107926522

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-chlorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide?
The IUPAC name of 2-(5-bromo-2-chlorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide (CID 107930220) is 2-(5-bromo-2-chlorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide.
What is the SMILES notation for 2-(5-bromo-2-chlorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide?
The canonical SMILES for 2-(5-bromo-2-chlorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide is Cc1ccc(Oc2cc(Br)ccc2Cl)c(/C(N)=N/O)c1.
What is the InChIKey of 2-(5-bromo-2-chlorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide?
The InChIKey is XUHUFUWWNXVAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O2/c1-8-2-5-12(10(6-8)14(17)18-19)20-13-7-9(15)3-4-11(13)16/h2-7,19H,1H3,(H2,17,18).
What are the key properties of 2-(5-bromo-2-chlorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide?
2-(5-bromo-2-chlorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide has a molecular weight of 355.62 g/mol, XLogP of 4.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-chlorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide is sourced from PubChem (CID 107930220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).