2-(5-bromo-2-fluorophenoxy)-6-chloro-N'-hydroxybenzenecarboximidamide

C13H9BrClFN2O2 — CID 114673544

IUPAC2-(5-bromo-2-fluorophenoxy)-6-chloro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1c(Cl)cccc1Oc1cc(Br)ccc1F
InChIInChI=1S/C13H9BrClFN2O2/c14-7-4-5-9(16)11(6-7)20-10-3-1-2-8(15)12(10)13(17)18-19/h1-6,19H,(H2,17,18)
InChIKeyJYQNBQCVQPKVKF-UHFFFAOYSA-N
MW359.58 g/mol
LogP4.13
Rot. Bonds3

About 2-(5-bromo-2-fluorophenoxy)-6-chloro-N'-hydroxybenzenecarboximidamide

2-(5-bromo-2-fluorophenoxy)-6-chloro-N'-hydroxybenzenecarboximidamide (PubChem CID 114673544) has the molecular formula C13H9BrClFN2O2 and a molecular weight of 359.58 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenoxy)-6-chloro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenoxy)-6-chloro-N'-hydroxybenzenecarboximidamide
PubChem CID114673544
Molecular FormulaC13H9BrClFN2O2
Molecular Weight359.58 g/mol
Exact Mass357.95
IUPAC Name2-(5-bromo-2-fluorophenoxy)-6-chloro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1c(Cl)cccc1Oc1cc(Br)ccc1F
InChIInChI=1S/C13H9BrClFN2O2/c14-7-4-5-9(16)11(6-7)20-10-3-1-2-8(15)12(10)13(17)18-19/h1-6,19H,(H2,17,18)
InChIKeyJYQNBQCVQPKVKF-UHFFFAOYSA-N
XLogP4.13
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.58
LogP ≤ 54.13
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-(5-bromo-2-fluorophenoxy)-N'-hydroxy-6-methylsulfanylbenzenecarboximidamide
CID 114673561
4-bromo-2-(5-bromo-2-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 114904369
2-chloro-6-(3,5-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 76999537
2-chloro-N'-hydroxy-6-(2-methylphenoxy)benzenecarboximidamide
CID 76945119
4-(5-bromo-2-fluorophenoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide
CID 114673566
2-(5-bromo-2,3-difluorophenoxy)-6-chlorobenzamide
CID 107099317
2-(4-chlorophenoxy)-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 79519262
4-chloro-2-(3-chloro-2-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 116689156
2-chloro-N'-hydroxy-6-(4-methylsulfanylphenoxy)benzenecarboximidamide
CID 77003464
4-bromo-2-chloro-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 146014259
2-bromo-6-(2-bromo-5-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 114883547
2-(3-chloro-2-fluorophenoxy)-N'-hydroxy-6-methylsulfanylbenzenecarboximidamide
CID 116689183

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenoxy)-6-chloro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-(5-bromo-2-fluorophenoxy)-6-chloro-N'-hydroxybenzenecarboximidamide (CID 114673544) is 2-(5-bromo-2-fluorophenoxy)-6-chloro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-(5-bromo-2-fluorophenoxy)-6-chloro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-(5-bromo-2-fluorophenoxy)-6-chloro-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1c(Cl)cccc1Oc1cc(Br)ccc1F.
What is the InChIKey of 2-(5-bromo-2-fluorophenoxy)-6-chloro-N'-hydroxybenzenecarboximidamide?
The InChIKey is JYQNBQCVQPKVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClFN2O2/c14-7-4-5-9(16)11(6-7)20-10-3-1-2-8(15)12(10)13(17)18-19/h1-6,19H,(H2,17,18).
What are the key properties of 2-(5-bromo-2-fluorophenoxy)-6-chloro-N'-hydroxybenzenecarboximidamide?
2-(5-bromo-2-fluorophenoxy)-6-chloro-N'-hydroxybenzenecarboximidamide has a molecular weight of 359.58 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenoxy)-6-chloro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 114673544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).