2-(5-bromo-2-fluorophenyl)-N'-hydroxyethanimidamide

C8H8BrFN2O — CID 57364800

IUPAC2-(5-bromo-2-fluorophenyl)-N'-hydroxyethanimidamide
SMILESNC(Cc1cc(Br)ccc1F)=NO
InChIInChI=1S/C8H8BrFN2O/c9-6-1-2-7(10)5(3-6)4-8(11)12-13/h1-3,13H,4H2,(H2,11,12)
InChIKeyHOYIXAMYLUULNY-UHFFFAOYSA-N
MW247.07 g/mol
LogP1.88
Rot. Bonds2

About 2-(5-bromo-2-fluorophenyl)-N'-hydroxyethanimidamide

2-(5-bromo-2-fluorophenyl)-N'-hydroxyethanimidamide (PubChem CID 57364800) has the molecular formula C8H8BrFN2O and a molecular weight of 247.07 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-N'-hydroxyethanimidamide
PubChem CID57364800
Molecular FormulaC8H8BrFN2O
Molecular Weight247.07 g/mol
Exact Mass245.98
IUPAC Name2-(5-bromo-2-fluorophenyl)-N'-hydroxyethanimidamide
SMILESNC(Cc1cc(Br)ccc1F)=NO
InChIInChI=1S/C8H8BrFN2O/c9-6-1-2-7(10)5(3-6)4-8(11)12-13/h1-3,13H,4H2,(H2,11,12)
InChIKeyHOYIXAMYLUULNY-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-(4-bromo-2-fluorophenyl)-N'-hydroxyethanimidamide
CID 14677832
3-[(5-bromo-2-fluorophenyl)methylamino]-N'-hydroxypentanimidamide
CID 77032559
1-amino-2-[(5-bromo-2-fluorophenyl)methyl]guanidine
CID 64866451
5-bromo-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 123754109
1-[(5-bromo-2-fluorophenyl)methyl]-N'-hydroxypiperidine-4-carboximidamide
CID 77038667
5-(5-bromo-2-fluoroanilino)-N'-hydroxypentanimidamide
CID 77027557
4-bromo-2-ethyl-1-fluorobenzene
CID 22641025
2-[(5-bromo-2-fluorophenyl)methyl]-1-tert-butylguanidine
CID 55064147
5-(4-bromo-2-fluorophenoxy)-N'-hydroxypentanimidamide
CID 54965707
3-[[(5-bromo-2-fluorophenyl)methylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 77032410
N-(2-aminoethyl)-2-(5-bromo-2-fluorophenyl)acetamide
CID 82648185
(5-bromo-2-fluorophenyl)methanesulfonamide
CID 61064236

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-N'-hydroxyethanimidamide?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-N'-hydroxyethanimidamide (CID 57364800) is 2-(5-bromo-2-fluorophenyl)-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-N'-hydroxyethanimidamide?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-N'-hydroxyethanimidamide is NC(Cc1cc(Br)ccc1F)=NO.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-N'-hydroxyethanimidamide?
The InChIKey is HOYIXAMYLUULNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrFN2O/c9-6-1-2-7(10)5(3-6)4-8(11)12-13/h1-3,13H,4H2,(H2,11,12).
What are the key properties of 2-(5-bromo-2-fluorophenyl)-N'-hydroxyethanimidamide?
2-(5-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-(5-bromo-2-fluorophenyl)-N'-hydroxyethanimidamide is sourced from PubChem (CID 57364800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).