2-bromo-4-(3,5-difluorophenoxy)-N'-hydroxybenzenecarboximidamide

C13H9BrF2N2O2 — CID 107279000

IUPAC2-bromo-4-(3,5-difluorophenoxy)-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(Oc2cc(F)cc(F)c2)cc1Br
InChIInChI=1S/C13H9BrF2N2O2/c14-12-6-9(1-2-11(12)13(17)18-19)20-10-4-7(15)3-8(16)5-10/h1-6,19H,(H2,17,18)
InChIKeyQWSURCXJWKXLEC-UHFFFAOYSA-N
MW343.13 g/mol
LogP3.61
Rot. Bonds3

About 2-bromo-4-(3,5-difluorophenoxy)-N'-hydroxybenzenecarboximidamide

2-bromo-4-(3,5-difluorophenoxy)-N'-hydroxybenzenecarboximidamide (PubChem CID 107279000) has the molecular formula C13H9BrF2N2O2 and a molecular weight of 343.13 g/mol. Its IUPAC name is 2-bromo-4-(3,5-difluorophenoxy)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-4-(3,5-difluorophenoxy)-N'-hydroxybenzenecarboximidamide
PubChem CID107279000
Molecular FormulaC13H9BrF2N2O2
Molecular Weight343.13 g/mol
Exact Mass341.98
IUPAC Name2-bromo-4-(3,5-difluorophenoxy)-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(Oc2cc(F)cc(F)c2)cc1Br
InChIInChI=1S/C13H9BrF2N2O2/c14-12-6-9(1-2-11(12)13(17)18-19)20-10-4-7(15)3-8(16)5-10/h1-6,19H,(H2,17,18)
InChIKeyQWSURCXJWKXLEC-UHFFFAOYSA-N
XLogP3.61
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.13
LogP ≤ 53.61
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-bromo-4-(3-fluoro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 107279072
2-bromo-4-fluoro-N'-hydroxybenzenecarboximidamide
CID 107275304
2-bromo-N'-hydroxy-4-(4-propylphenoxy)benzenecarboximidamide
CID 107278998
2-bromo-4-(4-bromo-2,5-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 107658343
2-bromo-N'-hydroxy-4-(2-hydroxyethoxy)benzenecarboximidamide
CID 107278941
2-(3-bromo-5-fluorophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 81331722
5-(3-bromo-5-fluorophenoxy)-N'-hydroxypyridine-2-carboximidamide
CID 136990918
2-bromo-4-(cyclopropylmethoxy)-N'-hydroxybenzenecarboximidamide
CID 107278940
2-(3-bromo-5-fluorophenoxy)-5-chloro-N'-hydroxybenzenecarboximidamide
CID 81331312
2-(3-bromo-5-fluorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930240
2-bromo-4-heptoxy-N'-hydroxybenzenecarboximidamide
CID 107278949
2-chloro-4-(4-chloro-3-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 82717050

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(3,5-difluorophenoxy)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-bromo-4-(3,5-difluorophenoxy)-N'-hydroxybenzenecarboximidamide (CID 107279000) is 2-bromo-4-(3,5-difluorophenoxy)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-bromo-4-(3,5-difluorophenoxy)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-bromo-4-(3,5-difluorophenoxy)-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1ccc(Oc2cc(F)cc(F)c2)cc1Br.
What is the InChIKey of 2-bromo-4-(3,5-difluorophenoxy)-N'-hydroxybenzenecarboximidamide?
The InChIKey is QWSURCXJWKXLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF2N2O2/c14-12-6-9(1-2-11(12)13(17)18-19)20-10-4-7(15)3-8(16)5-10/h1-6,19H,(H2,17,18).
What are the key properties of 2-bromo-4-(3,5-difluorophenoxy)-N'-hydroxybenzenecarboximidamide?
2-bromo-4-(3,5-difluorophenoxy)-N'-hydroxybenzenecarboximidamide has a molecular weight of 343.13 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(3,5-difluorophenoxy)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 107279000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).