2-(3-bromophenoxy)-N'-hydroxy-4-methoxybenzenecarboximidamide

C14H13BrN2O3 — CID 81303583

IUPAC2-(3-bromophenoxy)-N'-hydroxy-4-methoxybenzenecarboximidamide
SMILESCOc1ccc(/C(N)=N/O)c(Oc2cccc(Br)c2)c1
InChIInChI=1S/C14H13BrN2O3/c1-19-10-5-6-12(14(16)17-18)13(8-10)20-11-4-2-3-9(15)7-11/h2-8,18H,1H3,(H2,16,17)
InChIKeyXAFUUXHMBCPKGA-UHFFFAOYSA-N
MW337.17 g/mol
LogP3.34
Rot. Bonds4

About 2-(3-bromophenoxy)-N'-hydroxy-4-methoxybenzenecarboximidamide

2-(3-bromophenoxy)-N'-hydroxy-4-methoxybenzenecarboximidamide (PubChem CID 81303583) has the molecular formula C14H13BrN2O3 and a molecular weight of 337.17 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N'-hydroxy-4-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N'-hydroxy-4-methoxybenzenecarboximidamide
PubChem CID81303583
Molecular FormulaC14H13BrN2O3
Molecular Weight337.17 g/mol
Exact Mass336.01
IUPAC Name2-(3-bromophenoxy)-N'-hydroxy-4-methoxybenzenecarboximidamide
SMILESCOc1ccc(/C(N)=N/O)c(Oc2cccc(Br)c2)c1
InChIInChI=1S/C14H13BrN2O3/c1-19-10-5-6-12(14(16)17-18)13(8-10)20-11-4-2-3-9(15)7-11/h2-8,18H,1H3,(H2,16,17)
InChIKeyXAFUUXHMBCPKGA-UHFFFAOYSA-N
XLogP3.34
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.17
LogP ≤ 53.34
H-Bond Donors ≤ 52
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

2-(3,4-dimethylphenoxy)-N'-hydroxy-4-methoxybenzenecarboximidamide
CID 81297165
4-bromo-N'-hydroxy-2-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
CID 114904191
4-bromo-N'-hydroxy-2-[3-(hydroxymethyl)phenoxy]benzenecarboximidamide
CID 114904303
4-(2-bromo-4-methoxyphenoxy)-2-chloro-N'-hydroxybenzenecarboximidamide
CID 104707751
2-(2-ethylphenoxy)-N'-hydroxy-4-methoxybenzenecarboximidamide
CID 81297321
4-bromo-2-(4-chlorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 114904195
5-fluoro-N'-hydroxy-2-(3-methoxyphenoxy)benzenecarboximidamide
CID 77004508
4-bromo-2-(5-bromo-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 107284634
N'-hydroxy-2-(4-methoxyphenoxy)benzenecarboximidamide
CID 43199994
4-chloro-N'-hydroxy-2-(3-methylphenoxy)benzenecarboximidamide
CID 76984915
N'-hydroxy-4-methoxy-2-[(5-methyl-1H-pyrazol-3-yl)oxy]benzenecarboximidamide
CID 81341664
2-bromo-N'-hydroxy-4-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
CID 107278882

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N'-hydroxy-4-methoxybenzenecarboximidamide?
The IUPAC name of 2-(3-bromophenoxy)-N'-hydroxy-4-methoxybenzenecarboximidamide (CID 81303583) is 2-(3-bromophenoxy)-N'-hydroxy-4-methoxybenzenecarboximidamide.
What is the SMILES notation for 2-(3-bromophenoxy)-N'-hydroxy-4-methoxybenzenecarboximidamide?
The canonical SMILES for 2-(3-bromophenoxy)-N'-hydroxy-4-methoxybenzenecarboximidamide is COc1ccc(/C(N)=N/O)c(Oc2cccc(Br)c2)c1.
What is the InChIKey of 2-(3-bromophenoxy)-N'-hydroxy-4-methoxybenzenecarboximidamide?
The InChIKey is XAFUUXHMBCPKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O3/c1-19-10-5-6-12(14(16)17-18)13(8-10)20-11-4-2-3-9(15)7-11/h2-8,18H,1H3,(H2,16,17).
What are the key properties of 2-(3-bromophenoxy)-N'-hydroxy-4-methoxybenzenecarboximidamide?
2-(3-bromophenoxy)-N'-hydroxy-4-methoxybenzenecarboximidamide has a molecular weight of 337.17 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N'-hydroxy-4-methoxybenzenecarboximidamide is sourced from PubChem (CID 81303583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).