3-(2-bromo-4-chlorophenoxy)-N'-hydroxy-2-methylpropanimidamide

C10H12BrClN2O2 — CID 43175176

IUPAC3-(2-bromo-4-chlorophenoxy)-N'-hydroxy-2-methylpropanimidamide
SMILESCC(COc1ccc(Cl)cc1Br)/C(N)=N/O
InChIInChI=1S/C10H12BrClN2O2/c1-6(10(13)14-15)5-16-9-3-2-7(12)4-8(9)11/h2-4,6,15H,5H2,1H3,(H2,13,14)
InChIKeyVYPSAQZIOHMNNY-UHFFFAOYSA-N
MW307.58 g/mol
LogP2.86
Rot. Bonds4

About 3-(2-bromo-4-chlorophenoxy)-N'-hydroxy-2-methylpropanimidamide

3-(2-bromo-4-chlorophenoxy)-N'-hydroxy-2-methylpropanimidamide (PubChem CID 43175176) has the molecular formula C10H12BrClN2O2 and a molecular weight of 307.58 g/mol. Its IUPAC name is 3-(2-bromo-4-chlorophenoxy)-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-(2-bromo-4-chlorophenoxy)-N'-hydroxy-2-methylpropanimidamide
PubChem CID43175176
Molecular FormulaC10H12BrClN2O2
Molecular Weight307.58 g/mol
Exact Mass305.98
IUPAC Name3-(2-bromo-4-chlorophenoxy)-N'-hydroxy-2-methylpropanimidamide
SMILESCC(COc1ccc(Cl)cc1Br)/C(N)=N/O
InChIInChI=1S/C10H12BrClN2O2/c1-6(10(13)14-15)5-16-9-3-2-7(12)4-8(9)11/h2-4,6,15H,5H2,1H3,(H2,13,14)
InChIKeyVYPSAQZIOHMNNY-UHFFFAOYSA-N
XLogP2.86
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.58
LogP ≤ 52.86
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-(4-chloro-2-methylphenoxy)-N'-hydroxy-2-methylpropanimidamide
CID 43368325
1-(2-bromo-4-chlorophenoxy)butan-2-ol
CID 60880670
N'-hydroxy-3-(2-methoxy-4-methylphenoxy)-2-methylpropanimidamide
CID 43368358
2-acetamido-3-(2-bromo-4-chlorophenoxy)propanoic acid
CID 65441782
(2R)-2-(2,4-dichlorophenoxy)-N'-hydroxypropanimidamide
CID 7222417
1-(2-bromo-4-chlorophenoxy)-3-methylbutan-2-one
CID 78949293
[(2R)-1-amino-1-oxopropan-2-yl] 2-(2-bromo-4-chlorophenoxy)acetate
CID 8525699
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-2-methylpropanamide
CID 56819453
N'-hydroxy-3-[4-(hydroxymethyl)phenoxy]-2-methylpropanimidamide
CID 114987511
2-[2-(2-bromo-4-chlorophenoxy)ethoxy]propanimidamide
CID 114266444
2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylacetamide
CID 965257
2-[(2-bromo-4-chlorophenoxy)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 76994227

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-4-chlorophenoxy)-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-(2-bromo-4-chlorophenoxy)-N'-hydroxy-2-methylpropanimidamide (CID 43175176) is 3-(2-bromo-4-chlorophenoxy)-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-(2-bromo-4-chlorophenoxy)-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-(2-bromo-4-chlorophenoxy)-N'-hydroxy-2-methylpropanimidamide is CC(COc1ccc(Cl)cc1Br)/C(N)=N/O.
What is the InChIKey of 3-(2-bromo-4-chlorophenoxy)-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is VYPSAQZIOHMNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClN2O2/c1-6(10(13)14-15)5-16-9-3-2-7(12)4-8(9)11/h2-4,6,15H,5H2,1H3,(H2,13,14).
What are the key properties of 3-(2-bromo-4-chlorophenoxy)-N'-hydroxy-2-methylpropanimidamide?
3-(2-bromo-4-chlorophenoxy)-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 307.58 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-4-chlorophenoxy)-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 43175176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).