2-bromo-6-(4-chloro-2,6-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide

C15H14BrClN2O2 — CID 114883438

IUPAC2-bromo-6-(4-chloro-2,6-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide
SMILESCc1cc(Cl)cc(C)c1Oc1cccc(Br)c1/C(N)=N/O
InChIInChI=1S/C15H14BrClN2O2/c1-8-6-10(17)7-9(2)14(8)21-12-5-3-4-11(16)13(12)15(18)19-20/h3-7,20H,1-2H3,(H2,18,19)
InChIKeyLQLPUAUFBUVPCJ-UHFFFAOYSA-N
MW369.65 g/mol
LogP4.61
Rot. Bonds3

About 2-bromo-6-(4-chloro-2,6-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide

2-bromo-6-(4-chloro-2,6-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide (PubChem CID 114883438) has the molecular formula C15H14BrClN2O2 and a molecular weight of 369.65 g/mol. Its IUPAC name is 2-bromo-6-(4-chloro-2,6-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-6-(4-chloro-2,6-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide
PubChem CID114883438
Molecular FormulaC15H14BrClN2O2
Molecular Weight369.65 g/mol
Exact Mass367.99
IUPAC Name2-bromo-6-(4-chloro-2,6-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide
SMILESCc1cc(Cl)cc(C)c1Oc1cccc(Br)c1/C(N)=N/O
InChIInChI=1S/C15H14BrClN2O2/c1-8-6-10(17)7-9(2)14(8)21-12-5-3-4-11(16)13(12)15(18)19-20/h3-7,20H,1-2H3,(H2,18,19)
InChIKeyLQLPUAUFBUVPCJ-UHFFFAOYSA-N
XLogP4.61
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.65
LogP ≤ 54.61
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-6-(4-chloro-2,6-dimethylphenoxy)benzoic acid
CID 114888598
2-bromo-N'-hydroxy-6-(2-methoxyphenoxy)benzenecarboximidamide
CID 114883406
2-bromo-6-(3-fluoro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 107169381
2-chloro-N'-hydroxy-6-(2,3,6-trimethylphenoxy)benzenecarboximidamide
CID 76997687
2-bromo-6-(2-bromo-5-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 114883547
2-bromo-6-cycloheptyloxy-N'-hydroxybenzenecarboximidamide
CID 114883493
2-chloro-6-(4-chloro-2,6-dimethylphenoxy)benzenecarboximidamide
CID 63525012
2-chloro-N'-hydroxy-6-(2-methylphenoxy)benzenecarboximidamide
CID 76945119
2-chloro-6-(3,5-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 76999537
2-(4-chloro-2-methylphenoxy)-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109614
2-(5-bromo-2-fluorophenoxy)-6-chloro-N'-hydroxybenzenecarboximidamide
CID 114673544
2-(4-chloro-2,6-dimethylphenoxy)-N'-hydroxypyrimidine-4-carboximidamide
CID 136907157

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(4-chloro-2,6-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-bromo-6-(4-chloro-2,6-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide (CID 114883438) is 2-bromo-6-(4-chloro-2,6-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-bromo-6-(4-chloro-2,6-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-bromo-6-(4-chloro-2,6-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide is Cc1cc(Cl)cc(C)c1Oc1cccc(Br)c1/C(N)=N/O.
What is the InChIKey of 2-bromo-6-(4-chloro-2,6-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide?
The InChIKey is LQLPUAUFBUVPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O2/c1-8-6-10(17)7-9(2)14(8)21-12-5-3-4-11(16)13(12)15(18)19-20/h3-7,20H,1-2H3,(H2,18,19).
What are the key properties of 2-bromo-6-(4-chloro-2,6-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide?
2-bromo-6-(4-chloro-2,6-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide has a molecular weight of 369.65 g/mol, XLogP of 4.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(4-chloro-2,6-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 114883438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).