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

C14H12Br2N2O2 — CID 107284634

IUPAC4-bromo-2-(5-bromo-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide
SMILESCc1ccc(Br)cc1Oc1cc(Br)ccc1/C(N)=N/O
InChIInChI=1S/C14H12Br2N2O2/c1-8-2-3-9(15)6-12(8)20-13-7-10(16)4-5-11(13)14(17)18-19/h2-7,19H,1H3,(H2,17,18)
InChIKeySMOZYENYGSVGPD-UHFFFAOYSA-N
MW400.07 g/mol
LogP4.41
Rot. Bonds3

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

4-bromo-2-(5-bromo-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide (PubChem CID 107284634) has the molecular formula C14H12Br2N2O2 and a molecular weight of 400.07 g/mol. Its IUPAC name is 4-bromo-2-(5-bromo-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-bromo-2-(5-bromo-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide
PubChem CID107284634
Molecular FormulaC14H12Br2N2O2
Molecular Weight400.07 g/mol
Exact Mass397.93
IUPAC Name4-bromo-2-(5-bromo-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide
SMILESCc1ccc(Br)cc1Oc1cc(Br)ccc1/C(N)=N/O
InChIInChI=1S/C14H12Br2N2O2/c1-8-2-3-9(15)6-12(8)20-13-7-10(16)4-5-11(13)14(17)18-19/h2-7,19H,1H3,(H2,17,18)
InChIKeySMOZYENYGSVGPD-UHFFFAOYSA-N
XLogP4.41
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.07
LogP ≤ 54.41
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-methylphenoxy)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76987267
4-bromo-2-(5-bromo-2-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 114904369
5-bromo-2-(5-fluoro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 102981960
2-(4-bromo-2-chlorophenoxy)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76938807
2-(5-bromo-2-methylphenoxy)-N'-hydroxy-4-methylpyridine-3-carboximidamide
CID 107284633
4-bromo-2-(4-chlorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 114904195
4-bromo-2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxybenzenecarboximidamide
CID 114904345
5-bromo-2-(2,3-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 114892727
5-bromo-2-(4-chloro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 114892706
5-bromo-2-(4-fluoro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 114892801
2-(2-bromophenoxy)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76938982
2-(3,4-dimethylphenoxy)-N'-hydroxy-4-methoxybenzenecarboximidamide
CID 81297165

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(5-bromo-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-bromo-2-(5-bromo-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide (CID 107284634) is 4-bromo-2-(5-bromo-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-bromo-2-(5-bromo-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-bromo-2-(5-bromo-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide is Cc1ccc(Br)cc1Oc1cc(Br)ccc1/C(N)=N/O.
What is the InChIKey of 4-bromo-2-(5-bromo-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide?
The InChIKey is SMOZYENYGSVGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2N2O2/c1-8-2-3-9(15)6-12(8)20-13-7-10(16)4-5-11(13)14(17)18-19/h2-7,19H,1H3,(H2,17,18).
What are the key properties of 4-bromo-2-(5-bromo-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide?
4-bromo-2-(5-bromo-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide has a molecular weight of 400.07 g/mol, XLogP of 4.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(5-bromo-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 107284634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).