2-bromo-N'-hydroxy-6-(2-methoxyphenoxy)benzenecarboximidamide

C14H13BrN2O3 — CID 114883406

IUPAC2-bromo-N'-hydroxy-6-(2-methoxyphenoxy)benzenecarboximidamide
SMILESCOc1ccccc1Oc1cccc(Br)c1/C(N)=N/O
InChIInChI=1S/C14H13BrN2O3/c1-19-10-6-2-3-7-11(10)20-12-8-4-5-9(15)13(12)14(16)17-18/h2-8,18H,1H3,(H2,16,17)
InChIKeyLOXPMXSHLUDFLT-UHFFFAOYSA-N
MW337.17 g/mol
LogP3.34
Rot. Bonds4

About 2-bromo-N'-hydroxy-6-(2-methoxyphenoxy)benzenecarboximidamide

2-bromo-N'-hydroxy-6-(2-methoxyphenoxy)benzenecarboximidamide (PubChem CID 114883406) has the molecular formula C14H13BrN2O3 and a molecular weight of 337.17 g/mol. Its IUPAC name is 2-bromo-N'-hydroxy-6-(2-methoxyphenoxy)benzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-N'-hydroxy-6-(2-methoxyphenoxy)benzenecarboximidamide
PubChem CID114883406
Molecular FormulaC14H13BrN2O3
Molecular Weight337.17 g/mol
Exact Mass336.01
IUPAC Name2-bromo-N'-hydroxy-6-(2-methoxyphenoxy)benzenecarboximidamide
SMILESCOc1ccccc1Oc1cccc(Br)c1/C(N)=N/O
InChIInChI=1S/C14H13BrN2O3/c1-19-10-6-2-3-7-11(10)20-12-8-4-5-9(15)13(12)14(16)17-18/h2-8,18H,1H3,(H2,16,17)
InChIKeyLOXPMXSHLUDFLT-UHFFFAOYSA-N
XLogP3.34
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.17
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2-bromo-5-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 114883547
2-bromo-6-(4-chloro-2,6-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 114883438
2-bromo-N'-hydroxy-6-(1-phenylethoxy)benzenecarboximidamide
CID 114883423
2-bromo-6-cycloheptyloxy-N'-hydroxybenzenecarboximidamide
CID 114883493
2-bromo-6-(3-fluoro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 107169381
2-bromo-6-methoxybenzenecarbothioamide
CID 114882804
2-bromo-6-(2-butoxyethoxy)-N'-hydroxybenzenecarboximidamide
CID 114883463
2-fluoro-N'-hydroxy-6-(2-methoxy-4-methylphenoxy)benzenecarboximidamide
CID 79517129
N'-hydroxy-4-(2-methoxyphenoxy)-2,6-dimethylpyridine-3-carboximidamide
CID 81035865
2-bromo-6-(1-ethylpyrazol-4-yl)oxy-N'-hydroxybenzenecarboximidamide
CID 114883564
2-bromo-N'-hydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzenecarboximidamide
CID 114883559
2-bromo-N'-hydroxy-6-(oxolan-3-yloxy)benzenecarboximidamide
CID 114883519

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N'-hydroxy-6-(2-methoxyphenoxy)benzenecarboximidamide?
The IUPAC name of 2-bromo-N'-hydroxy-6-(2-methoxyphenoxy)benzenecarboximidamide (CID 114883406) is 2-bromo-N'-hydroxy-6-(2-methoxyphenoxy)benzenecarboximidamide.
What is the SMILES notation for 2-bromo-N'-hydroxy-6-(2-methoxyphenoxy)benzenecarboximidamide?
The canonical SMILES for 2-bromo-N'-hydroxy-6-(2-methoxyphenoxy)benzenecarboximidamide is COc1ccccc1Oc1cccc(Br)c1/C(N)=N/O.
What is the InChIKey of 2-bromo-N'-hydroxy-6-(2-methoxyphenoxy)benzenecarboximidamide?
The InChIKey is LOXPMXSHLUDFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O3/c1-19-10-6-2-3-7-11(10)20-12-8-4-5-9(15)13(12)14(16)17-18/h2-8,18H,1H3,(H2,16,17).
What are the key properties of 2-bromo-N'-hydroxy-6-(2-methoxyphenoxy)benzenecarboximidamide?
2-bromo-N'-hydroxy-6-(2-methoxyphenoxy)benzenecarboximidamide has a molecular weight of 337.17 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N'-hydroxy-6-(2-methoxyphenoxy)benzenecarboximidamide is sourced from PubChem (CID 114883406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).