5-bromo-2-(3,5-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide

C13H9BrCl2N2O2 — CID 114892753

IUPAC5-bromo-2-(3,5-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1cc(Br)ccc1Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H9BrCl2N2O2/c14-7-1-2-12(11(3-7)13(17)18-19)20-10-5-8(15)4-9(16)6-10/h1-6,19H,(H2,17,18)
InChIKeyLKCAIVOIBSBXIV-UHFFFAOYSA-N
MW376.04 g/mol
LogP4.64
Rot. Bonds3

About 5-bromo-2-(3,5-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide

5-bromo-2-(3,5-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide (PubChem CID 114892753) has the molecular formula C13H9BrCl2N2O2 and a molecular weight of 376.04 g/mol. Its IUPAC name is 5-bromo-2-(3,5-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name5-bromo-2-(3,5-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide
PubChem CID114892753
Molecular FormulaC13H9BrCl2N2O2
Molecular Weight376.04 g/mol
Exact Mass373.92
IUPAC Name5-bromo-2-(3,5-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1cc(Br)ccc1Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H9BrCl2N2O2/c14-7-1-2-12(11(3-7)13(17)18-19)20-10-5-8(15)4-9(16)6-10/h1-6,19H,(H2,17,18)
InChIKeyLKCAIVOIBSBXIV-UHFFFAOYSA-N
XLogP4.64
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.04
LogP ≤ 54.64
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-N'-hydroxy-2-(4-methylphenoxy)benzenecarboximidamide
CID 114892715
5-bromo-2-(4-chloro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 114892706
2-(3-bromo-5-fluorophenoxy)-5-chloro-N'-hydroxybenzenecarboximidamide
CID 81331312
4-bromo-2-(4-chlorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 114904195
5-bromo-2-(2-bromophenoxy)-N'-hydroxybenzenecarboximidamide
CID 114892710
2-(5-bromo-2-chlorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930220
2-(4-bromo-3-fluorophenoxy)-5-chloro-N'-hydroxybenzenecarboximidamide
CID 77059489
2-chloro-6-(3,5-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 76999537
2-(3-bromo-5-fluorophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 81331722
5-bromo-N'-hydroxy-2-(3-nitrophenoxy)benzenecarboximidamide
CID 114892757
5-bromo-2-(2,3-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 114892727
5-bromo-2-(4-fluoro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 114892801

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3,5-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 5-bromo-2-(3,5-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide (CID 114892753) is 5-bromo-2-(3,5-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 5-bromo-2-(3,5-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 5-bromo-2-(3,5-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1cc(Br)ccc1Oc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 5-bromo-2-(3,5-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide?
The InChIKey is LKCAIVOIBSBXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrCl2N2O2/c14-7-1-2-12(11(3-7)13(17)18-19)20-10-5-8(15)4-9(16)6-10/h1-6,19H,(H2,17,18).
What are the key properties of 5-bromo-2-(3,5-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide?
5-bromo-2-(3,5-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide has a molecular weight of 376.04 g/mol, XLogP of 4.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3,5-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 114892753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).