3-bromo-N'-hydroxy-4-[2-(hydroxymethyl)phenoxy]benzenecarboximidamide

C14H13BrN2O3 — CID 82799625

IUPAC3-bromo-N'-hydroxy-4-[2-(hydroxymethyl)phenoxy]benzenecarboximidamide
SMILESN/C(=N/O)c1ccc(Oc2ccccc2CO)c(Br)c1
InChIInChI=1S/C14H13BrN2O3/c15-11-7-9(14(16)17-19)5-6-13(11)20-12-4-2-1-3-10(12)8-18/h1-7,18-19H,8H2,(H2,16,17)
InChIKeySCBYBVDGTQNSKI-UHFFFAOYSA-N
MW337.17 g/mol
LogP2.83
Rot. Bonds4

About 3-bromo-N'-hydroxy-4-[2-(hydroxymethyl)phenoxy]benzenecarboximidamide

3-bromo-N'-hydroxy-4-[2-(hydroxymethyl)phenoxy]benzenecarboximidamide (PubChem CID 82799625) has the molecular formula C14H13BrN2O3 and a molecular weight of 337.17 g/mol. Its IUPAC name is 3-bromo-N'-hydroxy-4-[2-(hydroxymethyl)phenoxy]benzenecarboximidamide.

Molecular Properties

Compound Name3-bromo-N'-hydroxy-4-[2-(hydroxymethyl)phenoxy]benzenecarboximidamide
PubChem CID82799625
Molecular FormulaC14H13BrN2O3
Molecular Weight337.17 g/mol
Exact Mass336.01
IUPAC Name3-bromo-N'-hydroxy-4-[2-(hydroxymethyl)phenoxy]benzenecarboximidamide
SMILESN/C(=N/O)c1ccc(Oc2ccccc2CO)c(Br)c1
InChIInChI=1S/C14H13BrN2O3/c15-11-7-9(14(16)17-19)5-6-13(11)20-12-4-2-1-3-10(12)8-18/h1-7,18-19H,8H2,(H2,16,17)
InChIKeySCBYBVDGTQNSKI-UHFFFAOYSA-N
XLogP2.83
TPSA88.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.17
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-phenoxybenzenecarboximidamide
CID 82799401
3-bromo-4-[2-(hydroxymethyl)phenoxy]benzoic acid
CID 82801751
3-bromo-4-(2,5-difluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 82799197
3-fluoro-N'-hydroxy-4-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107712561
3-bromo-4-ethoxy-N'-hydroxybenzenecarboximidamide
CID 82799087
N'-hydroxy-4-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107712587
N'-hydroxy-2-[2-(hydroxymethyl)phenoxy]-6-methylpyridine-4-carboximidamide
CID 137013810
3-bromo-N'-hydroxy-4-(4-propan-2-ylphenoxy)benzenecarboximidamide
CID 82786360
4-(2-bromo-4-chlorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43658275
3-bromo-N'-hydroxy-4-(2-methoxyethoxy)benzenecarboximidamide
CID 82800243
N'-hydroxy-4-[2-(hydroxymethyl)phenoxy]-2,6-dimethylpyridine-3-carboximidamide
CID 81036684

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N'-hydroxy-4-[2-(hydroxymethyl)phenoxy]benzenecarboximidamide?
The IUPAC name of 3-bromo-N'-hydroxy-4-[2-(hydroxymethyl)phenoxy]benzenecarboximidamide (CID 82799625) is 3-bromo-N'-hydroxy-4-[2-(hydroxymethyl)phenoxy]benzenecarboximidamide.
What is the SMILES notation for 3-bromo-N'-hydroxy-4-[2-(hydroxymethyl)phenoxy]benzenecarboximidamide?
The canonical SMILES for 3-bromo-N'-hydroxy-4-[2-(hydroxymethyl)phenoxy]benzenecarboximidamide is N/C(=N/O)c1ccc(Oc2ccccc2CO)c(Br)c1.
What is the InChIKey of 3-bromo-N'-hydroxy-4-[2-(hydroxymethyl)phenoxy]benzenecarboximidamide?
The InChIKey is SCBYBVDGTQNSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O3/c15-11-7-9(14(16)17-19)5-6-13(11)20-12-4-2-1-3-10(12)8-18/h1-7,18-19H,8H2,(H2,16,17).
What are the key properties of 3-bromo-N'-hydroxy-4-[2-(hydroxymethyl)phenoxy]benzenecarboximidamide?
3-bromo-N'-hydroxy-4-[2-(hydroxymethyl)phenoxy]benzenecarboximidamide has a molecular weight of 337.17 g/mol, XLogP of 2.83, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N'-hydroxy-4-[2-(hydroxymethyl)phenoxy]benzenecarboximidamide is sourced from PubChem (CID 82799625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).