5-bromo-2-(2-bromophenoxy)-N'-hydroxybenzenecarboximidamide

C13H10Br2N2O2 — CID 114892710

IUPAC5-bromo-2-(2-bromophenoxy)-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1cc(Br)ccc1Oc1ccccc1Br
InChIInChI=1S/C13H10Br2N2O2/c14-8-5-6-11(9(7-8)13(16)17-18)19-12-4-2-1-3-10(12)15/h1-7,18H,(H2,16,17)
InChIKeyDETGYCRSZFOZQO-UHFFFAOYSA-N
MW386.04 g/mol
LogP4.10
Rot. Bonds3

About 5-bromo-2-(2-bromophenoxy)-N'-hydroxybenzenecarboximidamide

5-bromo-2-(2-bromophenoxy)-N'-hydroxybenzenecarboximidamide (PubChem CID 114892710) has the molecular formula C13H10Br2N2O2 and a molecular weight of 386.04 g/mol. Its IUPAC name is 5-bromo-2-(2-bromophenoxy)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name5-bromo-2-(2-bromophenoxy)-N'-hydroxybenzenecarboximidamide
PubChem CID114892710
Molecular FormulaC13H10Br2N2O2
Molecular Weight386.04 g/mol
Exact Mass383.91
IUPAC Name5-bromo-2-(2-bromophenoxy)-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1cc(Br)ccc1Oc1ccccc1Br
InChIInChI=1S/C13H10Br2N2O2/c14-8-5-6-11(9(7-8)13(16)17-18)19-12-4-2-1-3-10(12)15/h1-7,18H,(H2,16,17)
InChIKeyDETGYCRSZFOZQO-UHFFFAOYSA-N
XLogP4.10
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.04
LogP ≤ 54.10
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-(2-bromophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004436
5-bromo-2-(2,3-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 114892727
5-bromo-2-(4-fluoro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 114892801
2-(2-bromophenoxy)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76938982
5-bromo-2-(5-fluoro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 102981960
5-bromo-N'-hydroxy-2-(4-methylphenoxy)benzenecarboximidamide
CID 114892715
5-bromo-2-(3,5-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 114892753
5-bromo-2-(4-chloro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 114892706
5-bromo-N'-hydroxy-2-(1-phenylethoxy)benzenecarboximidamide
CID 114892713
4-bromo-2-(5-bromo-2-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 114904369
3-bromo-4-(2-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 82800024
2-(5-bromo-2-chlorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930220

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-bromophenoxy)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 5-bromo-2-(2-bromophenoxy)-N'-hydroxybenzenecarboximidamide (CID 114892710) is 5-bromo-2-(2-bromophenoxy)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 5-bromo-2-(2-bromophenoxy)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 5-bromo-2-(2-bromophenoxy)-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1cc(Br)ccc1Oc1ccccc1Br.
What is the InChIKey of 5-bromo-2-(2-bromophenoxy)-N'-hydroxybenzenecarboximidamide?
The InChIKey is DETGYCRSZFOZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2N2O2/c14-8-5-6-11(9(7-8)13(16)17-18)19-12-4-2-1-3-10(12)15/h1-7,18H,(H2,16,17).
What are the key properties of 5-bromo-2-(2-bromophenoxy)-N'-hydroxybenzenecarboximidamide?
5-bromo-2-(2-bromophenoxy)-N'-hydroxybenzenecarboximidamide has a molecular weight of 386.04 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-bromophenoxy)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 114892710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).