2-(4-bromo-2-fluorophenyl)-N'-hydroxyethanimidamide

C8H8BrFN2O — CID 14677832

IUPAC2-(4-bromo-2-fluorophenyl)-N'-hydroxyethanimidamide
SMILESN/C(Cc1ccc(Br)cc1F)=N\O
InChIInChI=1S/C8H8BrFN2O/c9-6-2-1-5(7(10)4-6)3-8(11)12-13/h1-2,4,13H,3H2,(H2,11,12)
InChIKeyGWGWYGZFIDOSKI-UHFFFAOYSA-N
MW247.07 g/mol
LogP1.88
Rot. Bonds2

About 2-(4-bromo-2-fluorophenyl)-N'-hydroxyethanimidamide

2-(4-bromo-2-fluorophenyl)-N'-hydroxyethanimidamide (PubChem CID 14677832) has the molecular formula C8H8BrFN2O and a molecular weight of 247.07 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-N'-hydroxyethanimidamide
PubChem CID14677832
Molecular FormulaC8H8BrFN2O
Molecular Weight247.07 g/mol
Exact Mass245.98
IUPAC Name2-(4-bromo-2-fluorophenyl)-N'-hydroxyethanimidamide
SMILESN/C(Cc1ccc(Br)cc1F)=N\O
InChIInChI=1S/C8H8BrFN2O/c9-6-2-1-5(7(10)4-6)3-8(11)12-13/h1-2,4,13H,3H2,(H2,11,12)
InChIKeyGWGWYGZFIDOSKI-UHFFFAOYSA-N
XLogP1.88
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.07
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-fluorophenyl)-N'-hydroxyethanimidamide
CID 57364800
2-[2-fluoro-4-(trifluoromethyl)phenyl]-N'-hydroxyethanimidamide
CID 91755373
CID 88874839
CID 88874839
2-(4-bromo-2-fluorophenyl)acetyl iodide
CID 90435604
5-(4-bromo-2-fluorophenoxy)-N'-hydroxypentanimidamide
CID 54965707
5-(4-bromo-2-fluoroanilino)-N'-hydroxypentanimidamide
CID 77026696
2-bromo-3-(4-bromo-2-fluorophenyl)propanamide
CID 104513020
2-(2,4-dihydroxyphenyl)-N'-hydroxyethanimidamide
CID 57270874
3-amino-1-(4-bromo-2-fluorophenyl)butan-2-one
CID 116551805
3-amino-1-(4-bromo-2-fluorophenyl)-3-methylbutan-2-one
CID 116560259
3-[(5-bromo-2-fluorophenyl)methylamino]-N'-hydroxypentanimidamide
CID 77032559
3-(4-bromo-2-fluorophenyl)-1,1,1-trifluoropropan-2-one
CID 62963334

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-N'-hydroxyethanimidamide?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-N'-hydroxyethanimidamide (CID 14677832) is 2-(4-bromo-2-fluorophenyl)-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-N'-hydroxyethanimidamide?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-N'-hydroxyethanimidamide is N/C(Cc1ccc(Br)cc1F)=N\O.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-N'-hydroxyethanimidamide?
The InChIKey is GWGWYGZFIDOSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrFN2O/c9-6-2-1-5(7(10)4-6)3-8(11)12-13/h1-2,4,13H,3H2,(H2,11,12).
What are the key properties of 2-(4-bromo-2-fluorophenyl)-N'-hydroxyethanimidamide?
2-(4-bromo-2-fluorophenyl)-N'-hydroxyethanimidamide has a molecular weight of 247.07 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-N'-hydroxyethanimidamide is sourced from PubChem (CID 14677832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).