2-[(2-bromo-4-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide

C14H12BrFN2O2 — CID 24692111

IUPAC2-[(2-bromo-4-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N\O)c1ccccc1OCc1ccc(F)cc1Br
InChIInChI=1S/C14H12BrFN2O2/c15-12-7-10(16)6-5-9(12)8-20-13-4-2-1-3-11(13)14(17)18-19/h1-7,19H,8H2,(H2,17,18)
InChIKeyBBHLPJBZPFIETI-UHFFFAOYSA-N
MW339.16 g/mol
LogP3.26
Rot. Bonds4

About 2-[(2-bromo-4-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide

2-[(2-bromo-4-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide (PubChem CID 24692111) has the molecular formula C14H12BrFN2O2 and a molecular weight of 339.16 g/mol. Its IUPAC name is 2-[(2-bromo-4-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-[(2-bromo-4-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
PubChem CID24692111
Molecular FormulaC14H12BrFN2O2
Molecular Weight339.16 g/mol
Exact Mass338.01
IUPAC Name2-[(2-bromo-4-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N\O)c1ccccc1OCc1ccc(F)cc1Br
InChIInChI=1S/C14H12BrFN2O2/c15-12-7-10(16)6-5-9(12)8-20-13-4-2-1-3-11(13)14(17)18-19/h1-7,19H,8H2,(H2,17,18)
InChIKeyBBHLPJBZPFIETI-UHFFFAOYSA-N
XLogP3.26
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.16
LogP ≤ 53.26
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-[(2-bromo-4-fluorophenyl)methoxy]-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

5-bromo-2-[(2-bromo-4-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 83136108
2-[(2-chloro-4-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 43185462
2-[(2-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 24706233
2-[(4-chloro-2-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 114849596
2-[(2-bromo-4-chlorophenoxy)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 76994227
5-fluoro-N'-hydroxy-2-(phenoxymethyl)benzenecarboximidamide
CID 76994491
2-[(3-bromophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 24709005
2-[(2-bromophenyl)methoxy]-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930251
2-[(2-bromophenyl)methoxy]-5-chloro-N'-hydroxybenzenecarboximidamide
CID 82824507
2-[(2-bromo-4-fluorophenoxy)methyl]benzamide
CID 24710640
2-bromo-4-fluoro-N'-hydroxybenzenecarboximidamide
CID 107275304
5-amino-2-[(2-bromo-4-fluorophenyl)methoxy]benzoic acid
CID 43379973

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-[(2-bromo-4-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide (CID 24692111) is 2-[(2-bromo-4-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-[(2-bromo-4-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-[(2-bromo-4-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide is N/C(=N\O)c1ccccc1OCc1ccc(F)cc1Br.
What is the InChIKey of 2-[(2-bromo-4-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide?
The InChIKey is BBHLPJBZPFIETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O2/c15-12-7-10(16)6-5-9(12)8-20-13-4-2-1-3-11(13)14(17)18-19/h1-7,19H,8H2,(H2,17,18).
What are the key properties of 2-[(2-bromo-4-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide?
2-[(2-bromo-4-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide has a molecular weight of 339.16 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 24692111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).