4-bromo-2-(5-bromo-2-fluorophenoxy)-N'-hydroxybenzenecarboximidamide

C13H9Br2FN2O2 — CID 114904369

IUPAC4-bromo-2-(5-bromo-2-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(Br)cc1Oc1cc(Br)ccc1F
InChIInChI=1S/C13H9Br2FN2O2/c14-7-1-3-9(13(17)18-19)11(5-7)20-12-6-8(15)2-4-10(12)16/h1-6,19H,(H2,17,18)
InChIKeyZNDYFWSWTGMCKR-UHFFFAOYSA-N
MW404.03 g/mol
LogP4.24
Rot. Bonds3

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

4-bromo-2-(5-bromo-2-fluorophenoxy)-N'-hydroxybenzenecarboximidamide (PubChem CID 114904369) has the molecular formula C13H9Br2FN2O2 and a molecular weight of 404.03 g/mol. Its IUPAC name is 4-bromo-2-(5-bromo-2-fluorophenoxy)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-bromo-2-(5-bromo-2-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
PubChem CID114904369
Molecular FormulaC13H9Br2FN2O2
Molecular Weight404.03 g/mol
Exact Mass401.90
IUPAC Name4-bromo-2-(5-bromo-2-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(Br)cc1Oc1cc(Br)ccc1F
InChIInChI=1S/C13H9Br2FN2O2/c14-7-1-3-9(13(17)18-19)11(5-7)20-12-6-8(15)2-4-10(12)16/h1-6,19H,(H2,17,18)
InChIKeyZNDYFWSWTGMCKR-UHFFFAOYSA-N
XLogP4.24
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.03
LogP ≤ 54.24
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 4-bromo-2-(5-bromo-2-fluorophenoxy)-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

4-bromo-2-(4-chlorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 114904195
4-bromo-2-(5-bromo-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 107284634
4-(5-bromo-2-fluorophenoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide
CID 114673566
5-bromo-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 123754109
2-(5-bromo-2-fluorophenoxy)-6-chloro-N'-hydroxybenzenecarboximidamide
CID 114673544
2-(5-bromo-2-fluorophenoxy)-N'-hydroxy-6-methylsulfanylbenzenecarboximidamide
CID 114673561
2-(4-bromo-2-methylphenoxy)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76987267
5-bromo-2-(5-bromo-2-fluorophenoxy)benzenecarbothioamide
CID 114892303
5-bromo-2-(4-chloro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 114892706
2-(4-bromo-2-chlorophenoxy)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76938807
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 4-bromo-2-(5-bromo-2-fluorophenoxy)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-bromo-2-(5-bromo-2-fluorophenoxy)-N'-hydroxybenzenecarboximidamide (CID 114904369) is 4-bromo-2-(5-bromo-2-fluorophenoxy)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-bromo-2-(5-bromo-2-fluorophenoxy)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-bromo-2-(5-bromo-2-fluorophenoxy)-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1ccc(Br)cc1Oc1cc(Br)ccc1F.
What is the InChIKey of 4-bromo-2-(5-bromo-2-fluorophenoxy)-N'-hydroxybenzenecarboximidamide?
The InChIKey is ZNDYFWSWTGMCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2FN2O2/c14-7-1-3-9(13(17)18-19)11(5-7)20-12-6-8(15)2-4-10(12)16/h1-6,19H,(H2,17,18).
What are the key properties of 4-bromo-2-(5-bromo-2-fluorophenoxy)-N'-hydroxybenzenecarboximidamide?
4-bromo-2-(5-bromo-2-fluorophenoxy)-N'-hydroxybenzenecarboximidamide has a molecular weight of 404.03 g/mol, XLogP of 4.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(5-bromo-2-fluorophenoxy)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 114904369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).