5-bromo-2-(4-chloro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide

C14H12BrClN2O2 — CID 114892706

IUPAC5-bromo-2-(4-chloro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide
SMILESCc1cc(Cl)ccc1Oc1ccc(Br)cc1/C(N)=N/O
InChIInChI=1S/C14H12BrClN2O2/c1-8-6-10(16)3-5-12(8)20-13-4-2-9(15)7-11(13)14(17)18-19/h2-7,19H,1H3,(H2,17,18)
InChIKeyRIBVQVJPIYJFFI-UHFFFAOYSA-N
MW355.62 g/mol
LogP4.30
Rot. Bonds3

About 5-bromo-2-(4-chloro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide

5-bromo-2-(4-chloro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide (PubChem CID 114892706) has the molecular formula C14H12BrClN2O2 and a molecular weight of 355.62 g/mol. Its IUPAC name is 5-bromo-2-(4-chloro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name5-bromo-2-(4-chloro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide
PubChem CID114892706
Molecular FormulaC14H12BrClN2O2
Molecular Weight355.62 g/mol
Exact Mass353.98
IUPAC Name5-bromo-2-(4-chloro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide
SMILESCc1cc(Cl)ccc1Oc1ccc(Br)cc1/C(N)=N/O
InChIInChI=1S/C14H12BrClN2O2/c1-8-6-10(16)3-5-12(8)20-13-4-2-9(15)7-11(13)14(17)18-19/h2-7,19H,1H3,(H2,17,18)
InChIKeyRIBVQVJPIYJFFI-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

5-bromo-2-(4-fluoro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 114892801
2-(4-chloro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 43199996
5-bromo-2-(3,5-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 114892753
2-(2-bromo-4-methylphenoxy)-5-chloro-N'-hydroxybenzenecarboximidamide
CID 76944539
5-bromo-2-(2,3-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 114892727
5-chloro-2-(2-chloro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 76953392
2-(5-bromo-2-chlorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930220
5-bromo-2-(5-fluoro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 102981960
2-(4-bromo-2-methylphenoxy)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76987267
5-bromo-N'-hydroxy-2-(4-methylphenoxy)benzenecarboximidamide
CID 114892715
2-(4-chloro-2-methylphenoxy)-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109614
2-(4-chloro-2-methylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916435

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-chloro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 5-bromo-2-(4-chloro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide (CID 114892706) is 5-bromo-2-(4-chloro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 5-bromo-2-(4-chloro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 5-bromo-2-(4-chloro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide is Cc1cc(Cl)ccc1Oc1ccc(Br)cc1/C(N)=N/O.
What is the InChIKey of 5-bromo-2-(4-chloro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide?
The InChIKey is RIBVQVJPIYJFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O2/c1-8-6-10(16)3-5-12(8)20-13-4-2-9(15)7-11(13)14(17)18-19/h2-7,19H,1H3,(H2,17,18).
What are the key properties of 5-bromo-2-(4-chloro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide?
5-bromo-2-(4-chloro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide 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 5-bromo-2-(4-chloro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 114892706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).