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

C13H8BrF3N2O2 — CID 114673566

IUPAC4-(5-bromo-2-fluorophenoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1cc(F)c(Oc2cc(Br)ccc2F)c(F)c1
InChIInChI=1S/C13H8BrF3N2O2/c14-7-1-2-8(15)11(5-7)21-12-9(16)3-6(4-10(12)17)13(18)19-20/h1-5,20H,(H2,18,19)
InChIKeyZFQXEHJIDBQAME-UHFFFAOYSA-N
MW361.12 g/mol
LogP3.75
Rot. Bonds3

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

4-(5-bromo-2-fluorophenoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 114673566) has the molecular formula C13H8BrF3N2O2 and a molecular weight of 361.12 g/mol. Its IUPAC name is 4-(5-bromo-2-fluorophenoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-(5-bromo-2-fluorophenoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide
PubChem CID114673566
Molecular FormulaC13H8BrF3N2O2
Molecular Weight361.12 g/mol
Exact Mass359.97
IUPAC Name4-(5-bromo-2-fluorophenoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1cc(F)c(Oc2cc(Br)ccc2F)c(F)c1
InChIInChI=1S/C13H8BrF3N2O2/c14-7-1-2-8(15)11(5-7)21-12-9(16)3-6(4-10(12)17)13(18)19-20/h1-5,20H,(H2,18,19)
InChIKeyZFQXEHJIDBQAME-UHFFFAOYSA-N
XLogP3.75
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.12
LogP ≤ 53.75
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

4-bromo-2-(5-bromo-2-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 114904369
4-(2,4-dichlorophenoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide
CID 81286790
2-(5-bromo-2-fluorophenoxy)-6-chloro-N'-hydroxybenzenecarboximidamide
CID 114673544
2-(5-bromo-2-fluorophenoxy)-N'-hydroxy-6-methylsulfanylbenzenecarboximidamide
CID 114673561
5-bromo-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 123754109
5-(5-bromo-2-fluorophenoxy)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
CID 114673540
3-bromo-4-(2,5-difluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 82799197
3,5-difluoro-4-(3-fluoro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 107169391
4-(2-bromo-4-chlorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43658275
3-bromo-4-fluoro-N'-hydroxybenzenecarboximidamide
CID 2756972
4-bromo-2-(5-bromo-2-fluorophenoxy)-3-fluorophenol
CID 54022068
5-bromo-2-(5-bromo-2-fluorophenoxy)benzenecarbothioamide
CID 114892303

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-fluorophenoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-(5-bromo-2-fluorophenoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide (CID 114673566) is 4-(5-bromo-2-fluorophenoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-(5-bromo-2-fluorophenoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-(5-bromo-2-fluorophenoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1cc(F)c(Oc2cc(Br)ccc2F)c(F)c1.
What is the InChIKey of 4-(5-bromo-2-fluorophenoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is ZFQXEHJIDBQAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF3N2O2/c14-7-1-2-8(15)11(5-7)21-12-9(16)3-6(4-10(12)17)13(18)19-20/h1-5,20H,(H2,18,19).
What are the key properties of 4-(5-bromo-2-fluorophenoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide?
4-(5-bromo-2-fluorophenoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 361.12 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-fluorophenoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 114673566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).