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

C13H10BrFN2O2 — CID 82800024

IUPAC3-bromo-4-(2-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(Oc2ccccc2F)c(Br)c1
InChIInChI=1S/C13H10BrFN2O2/c14-9-7-8(13(16)17-18)5-6-11(9)19-12-4-2-1-3-10(12)15/h1-7,18H,(H2,16,17)
InChIKeyFEZBPXYWOKWHNA-UHFFFAOYSA-N
MW325.14 g/mol
LogP3.47
Rot. Bonds3

About 3-bromo-4-(2-fluorophenoxy)-N'-hydroxybenzenecarboximidamide

3-bromo-4-(2-fluorophenoxy)-N'-hydroxybenzenecarboximidamide (PubChem CID 82800024) has the molecular formula C13H10BrFN2O2 and a molecular weight of 325.14 g/mol. Its IUPAC name is 3-bromo-4-(2-fluorophenoxy)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-bromo-4-(2-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
PubChem CID82800024
Molecular FormulaC13H10BrFN2O2
Molecular Weight325.14 g/mol
Exact Mass323.99
IUPAC Name3-bromo-4-(2-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(Oc2ccccc2F)c(Br)c1
InChIInChI=1S/C13H10BrFN2O2/c14-9-7-8(13(16)17-18)5-6-11(9)19-12-4-2-1-3-10(12)15/h1-7,18H,(H2,16,17)
InChIKeyFEZBPXYWOKWHNA-UHFFFAOYSA-N
XLogP3.47
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.14
LogP ≤ 53.47
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'}

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Related Compounds

3-bromo-4-(2,5-difluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 82799197
3-bromo-N'-hydroxy-4-phenoxybenzenecarboximidamide
CID 82799401
4-(2-bromo-4-chlorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43658275
3-bromo-N'-hydroxy-4-[2-(hydroxymethyl)phenoxy]benzenecarboximidamide
CID 82799625
4-(2,4-difluorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43658337
2-(2-bromophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004436
3-bromo-4-fluoro-N'-hydroxybenzenecarboximidamide
CID 2756972
3-fluoro-N'-hydroxy-4-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107712561
3-bromo-4-(2-fluorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide
CID 82798618
5-bromo-2-(2-bromophenoxy)-N'-hydroxybenzenecarboximidamide
CID 114892710
3-bromo-N'-hydroxy-4-(4-propan-2-ylphenoxy)benzenecarboximidamide
CID 82786360
3-bromo-4-ethoxy-N'-hydroxybenzenecarboximidamide
CID 82799087

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(2-fluorophenoxy)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3-bromo-4-(2-fluorophenoxy)-N'-hydroxybenzenecarboximidamide (CID 82800024) is 3-bromo-4-(2-fluorophenoxy)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-bromo-4-(2-fluorophenoxy)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-bromo-4-(2-fluorophenoxy)-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1ccc(Oc2ccccc2F)c(Br)c1.
What is the InChIKey of 3-bromo-4-(2-fluorophenoxy)-N'-hydroxybenzenecarboximidamide?
The InChIKey is FEZBPXYWOKWHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFN2O2/c14-9-7-8(13(16)17-18)5-6-11(9)19-12-4-2-1-3-10(12)15/h1-7,18H,(H2,16,17).
What are the key properties of 3-bromo-4-(2-fluorophenoxy)-N'-hydroxybenzenecarboximidamide?
3-bromo-4-(2-fluorophenoxy)-N'-hydroxybenzenecarboximidamide has a molecular weight of 325.14 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(2-fluorophenoxy)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 82800024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).