3-bromo-N'-hydroxy-4-phenoxybenzenecarboximidamide

C13H11BrN2O2 — CID 82799401

IUPAC3-bromo-N'-hydroxy-4-phenoxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(Oc2ccccc2)c(Br)c1
InChIInChI=1S/C13H11BrN2O2/c14-11-8-9(13(15)16-17)6-7-12(11)18-10-4-2-1-3-5-10/h1-8,17H,(H2,15,16)
InChIKeyNCYUFLSSRDXSJO-UHFFFAOYSA-N
MW307.15 g/mol
LogP3.34
Rot. Bonds3

About 3-bromo-N'-hydroxy-4-phenoxybenzenecarboximidamide

3-bromo-N'-hydroxy-4-phenoxybenzenecarboximidamide (PubChem CID 82799401) has the molecular formula C13H11BrN2O2 and a molecular weight of 307.15 g/mol. Its IUPAC name is 3-bromo-N'-hydroxy-4-phenoxybenzenecarboximidamide.

Molecular Properties

Compound Name3-bromo-N'-hydroxy-4-phenoxybenzenecarboximidamide
PubChem CID82799401
Molecular FormulaC13H11BrN2O2
Molecular Weight307.15 g/mol
Exact Mass306.00
IUPAC Name3-bromo-N'-hydroxy-4-phenoxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(Oc2ccccc2)c(Br)c1
InChIInChI=1S/C13H11BrN2O2/c14-11-8-9(13(15)16-17)6-7-12(11)18-10-4-2-1-3-5-10/h1-8,17H,(H2,15,16)
InChIKeyNCYUFLSSRDXSJO-UHFFFAOYSA-N
XLogP3.34
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.15
LogP ≤ 53.34
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-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 82800024
3-bromo-N'-hydroxy-4-(4-propan-2-ylphenoxy)benzenecarboximidamide
CID 82786360
3-bromo-N'-hydroxy-4-[2-(hydroxymethyl)phenoxy]benzenecarboximidamide
CID 82799625
3-bromo-4-(2,5-difluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 82799197
3-bromo-4-ethoxy-N'-hydroxybenzenecarboximidamide
CID 82799087
3-bromo-4-cyclobutyloxy-N'-hydroxybenzenecarboximidamide
CID 82800147
4-(2-bromo-4-chlorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43658275
3-bromo-N'-hydroxy-4-(2-methoxyethoxy)benzenecarboximidamide
CID 82800243
N'-hydroxy-2-phenoxybenzenecarboximidamide
CID 51603436
N'-hydroxy-5-methyl-2-phenoxybenzenecarboximidamide
CID 107930097
3-bromo-4-butan-2-yloxy-N'-hydroxybenzenecarboximidamide
CID 82800140
3-bromo-N'-hydroxy-4-(2-methylbutan-2-yloxy)benzenecarboximidamide
CID 82798865

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N'-hydroxy-4-phenoxybenzenecarboximidamide?
The IUPAC name of 3-bromo-N'-hydroxy-4-phenoxybenzenecarboximidamide (CID 82799401) is 3-bromo-N'-hydroxy-4-phenoxybenzenecarboximidamide.
What is the SMILES notation for 3-bromo-N'-hydroxy-4-phenoxybenzenecarboximidamide?
The canonical SMILES for 3-bromo-N'-hydroxy-4-phenoxybenzenecarboximidamide is N/C(=N/O)c1ccc(Oc2ccccc2)c(Br)c1.
What is the InChIKey of 3-bromo-N'-hydroxy-4-phenoxybenzenecarboximidamide?
The InChIKey is NCYUFLSSRDXSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O2/c14-11-8-9(13(15)16-17)6-7-12(11)18-10-4-2-1-3-5-10/h1-8,17H,(H2,15,16).
What are the key properties of 3-bromo-N'-hydroxy-4-phenoxybenzenecarboximidamide?
3-bromo-N'-hydroxy-4-phenoxybenzenecarboximidamide has a molecular weight of 307.15 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N'-hydroxy-4-phenoxybenzenecarboximidamide is sourced from PubChem (CID 82799401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).