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

C14H13BrN2O3 — CID 114904303

IUPAC4-bromo-N'-hydroxy-2-[3-(hydroxymethyl)phenoxy]benzenecarboximidamide
SMILESN/C(=N/O)c1ccc(Br)cc1Oc1cccc(CO)c1
InChIInChI=1S/C14H13BrN2O3/c15-10-4-5-12(14(16)17-19)13(7-10)20-11-3-1-2-9(6-11)8-18/h1-7,18-19H,8H2,(H2,16,17)
InChIKeyYUYLBVKUANDHCI-UHFFFAOYSA-N
MW337.17 g/mol
LogP2.83
Rot. Bonds4

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

4-bromo-N'-hydroxy-2-[3-(hydroxymethyl)phenoxy]benzenecarboximidamide (PubChem CID 114904303) has the molecular formula C14H13BrN2O3 and a molecular weight of 337.17 g/mol. Its IUPAC name is 4-bromo-N'-hydroxy-2-[3-(hydroxymethyl)phenoxy]benzenecarboximidamide.

Molecular Properties

Compound Name4-bromo-N'-hydroxy-2-[3-(hydroxymethyl)phenoxy]benzenecarboximidamide
PubChem CID114904303
Molecular FormulaC14H13BrN2O3
Molecular Weight337.17 g/mol
Exact Mass336.01
IUPAC Name4-bromo-N'-hydroxy-2-[3-(hydroxymethyl)phenoxy]benzenecarboximidamide
SMILESN/C(=N/O)c1ccc(Br)cc1Oc1cccc(CO)c1
InChIInChI=1S/C14H13BrN2O3/c15-10-4-5-12(14(16)17-19)13(7-10)20-11-3-1-2-9(6-11)8-18/h1-7,18-19H,8H2,(H2,16,17)
InChIKeyYUYLBVKUANDHCI-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

4-bromo-2-[3-(hydroxymethyl)phenoxy]benzamide
CID 114906895
4-bromo-N'-hydroxy-2-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
CID 114904191
2-chloro-N'-hydroxy-4-[3-(hydroxymethyl)phenoxy]benzenecarboximidamide
CID 76981418
2-(3-bromophenoxy)-N'-hydroxy-4-methoxybenzenecarboximidamide
CID 81303583
4-bromo-2-(4-chlorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 114904195
2-(3-ethylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 43200048
4-bromo-2-(5-bromo-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 107284634
4-bromo-2-(5-bromo-2-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 114904369
2-[(3-bromophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 24709005
5-bromo-N'-hydroxy-2-(3-nitrophenoxy)benzenecarboximidamide
CID 114892757
4-chloro-2-(3-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 55182535
4-bromo-2-[4-(hydroxymethyl)phenoxy]benzenecarboximidamide
CID 114904864

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N'-hydroxy-2-[3-(hydroxymethyl)phenoxy]benzenecarboximidamide?
The IUPAC name of 4-bromo-N'-hydroxy-2-[3-(hydroxymethyl)phenoxy]benzenecarboximidamide (CID 114904303) is 4-bromo-N'-hydroxy-2-[3-(hydroxymethyl)phenoxy]benzenecarboximidamide.
What is the SMILES notation for 4-bromo-N'-hydroxy-2-[3-(hydroxymethyl)phenoxy]benzenecarboximidamide?
The canonical SMILES for 4-bromo-N'-hydroxy-2-[3-(hydroxymethyl)phenoxy]benzenecarboximidamide is N/C(=N/O)c1ccc(Br)cc1Oc1cccc(CO)c1.
What is the InChIKey of 4-bromo-N'-hydroxy-2-[3-(hydroxymethyl)phenoxy]benzenecarboximidamide?
The InChIKey is YUYLBVKUANDHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O3/c15-10-4-5-12(14(16)17-19)13(7-10)20-11-3-1-2-9(6-11)8-18/h1-7,18-19H,8H2,(H2,16,17).
What are the key properties of 4-bromo-N'-hydroxy-2-[3-(hydroxymethyl)phenoxy]benzenecarboximidamide?
4-bromo-N'-hydroxy-2-[3-(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 4-bromo-N'-hydroxy-2-[3-(hydroxymethyl)phenoxy]benzenecarboximidamide is sourced from PubChem (CID 114904303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).