2-(3-bromo-5-fluorophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide

C13H9BrF2N2O2 — CID 81331722

IUPAC2-(3-bromo-5-fluorophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1cc(F)ccc1Oc1cc(F)cc(Br)c1
InChIInChI=1S/C13H9BrF2N2O2/c14-7-3-9(16)5-10(4-7)20-12-2-1-8(15)6-11(12)13(17)18-19/h1-6,19H,(H2,17,18)
InChIKeyVJWHNOYXDAXHRZ-UHFFFAOYSA-N
MW343.13 g/mol
LogP3.61
Rot. Bonds3

About 2-(3-bromo-5-fluorophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide

2-(3-bromo-5-fluorophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 81331722) has the molecular formula C13H9BrF2N2O2 and a molecular weight of 343.13 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID81331722
Molecular FormulaC13H9BrF2N2O2
Molecular Weight343.13 g/mol
Exact Mass341.98
IUPAC Name2-(3-bromo-5-fluorophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1cc(F)ccc1Oc1cc(F)cc(Br)c1
InChIInChI=1S/C13H9BrF2N2O2/c14-7-3-9(16)5-10(4-7)20-12-2-1-8(15)6-11(12)13(17)18-19/h1-6,19H,(H2,17,18)
InChIKeyVJWHNOYXDAXHRZ-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'}

Analyze 2-(3-bromo-5-fluorophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-bromo-5-fluorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930240
2-(3-bromo-5-fluorophenoxy)-5-chloro-N'-hydroxybenzenecarboximidamide
CID 81331312
2-(3,5-dimethylphenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004432
2-(3-bromo-5-fluorophenoxy)-5-fluorobenzenecarboximidamide
CID 81332304
2-[(3-bromo-5-fluorophenoxy)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 81314094
2-(2-bromophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004436
2-(4-chloro-3-methylphenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004510
2-(3-bromo-5-fluorophenoxy)benzamide
CID 81331712
5-fluoro-N'-hydroxy-2-(3-methoxyphenoxy)benzenecarboximidamide
CID 77004508
2-(3-chloro-4-fluorophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77010316
5-bromo-2-(4-fluoro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 114892801
5-bromo-2-(5-fluoro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 102981960

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-(3-bromo-5-fluorophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide (CID 81331722) is 2-(3-bromo-5-fluorophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-(3-bromo-5-fluorophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-(3-bromo-5-fluorophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1cc(F)ccc1Oc1cc(F)cc(Br)c1.
What is the InChIKey of 2-(3-bromo-5-fluorophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is VJWHNOYXDAXHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF2N2O2/c14-7-3-9(16)5-10(4-7)20-12-2-1-8(15)6-11(12)13(17)18-19/h1-6,19H,(H2,17,18).
What are the key properties of 2-(3-bromo-5-fluorophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide?
2-(3-bromo-5-fluorophenoxy)-5-fluoro-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-(3-bromo-5-fluorophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 81331722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).