3-bromo-4-butan-2-yloxy-N'-hydroxybenzenecarboximidamide

C11H15BrN2O2 — CID 82800140

IUPAC3-bromo-4-butan-2-yloxy-N'-hydroxybenzenecarboximidamide
SMILESCCC(C)Oc1ccc(/C(N)=N/O)cc1Br
InChIInChI=1S/C11H15BrN2O2/c1-3-7(2)16-10-5-4-8(6-9(10)12)11(13)14-15/h4-7,15H,3H2,1-2H3,(H2,13,14)
InChIKeySMCVUFUDLCSAEG-UHFFFAOYSA-N
MW287.16 g/mol
LogP2.72
Rot. Bonds4

About 3-bromo-4-butan-2-yloxy-N'-hydroxybenzenecarboximidamide

3-bromo-4-butan-2-yloxy-N'-hydroxybenzenecarboximidamide (PubChem CID 82800140) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 3-bromo-4-butan-2-yloxy-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-bromo-4-butan-2-yloxy-N'-hydroxybenzenecarboximidamide
PubChem CID82800140
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name3-bromo-4-butan-2-yloxy-N'-hydroxybenzenecarboximidamide
SMILESCCC(C)Oc1ccc(/C(N)=N/O)cc1Br
InChIInChI=1S/C11H15BrN2O2/c1-3-7(2)16-10-5-4-8(6-9(10)12)11(13)14-15/h4-7,15H,3H2,1-2H3,(H2,13,14)
InChIKeySMCVUFUDLCSAEG-UHFFFAOYSA-N
XLogP2.72
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 52.72
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

4-butan-2-yloxy-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide
CID 115468073
3-bromo-4-ethoxy-N'-hydroxybenzenecarboximidamide
CID 82799087
4-[(2R)-butan-2-yl]oxy-N'-hydroxybenzenecarboximidamide
CID 156537629
3-bromo-N'-hydroxy-4-(2-methylbutan-2-yloxy)benzenecarboximidamide
CID 82798865
3-bromo-N'-hydroxy-4-(4-propan-2-ylphenoxy)benzenecarboximidamide
CID 82786360
3-bromo-4-(2-ethylhexoxy)-N'-hydroxybenzenecarboximidamide
CID 82798762
3-bromo-N'-hydroxy-4-(2-methoxyethoxy)benzenecarboximidamide
CID 82800243
N'-hydroxy-4-methyl-3-pentan-2-yloxybenzenecarboximidamide
CID 107892897
3-bromo-N'-hydroxy-4-phenoxybenzenecarboximidamide
CID 82799401
3-bromo-N'-hydroxy-4-[methyl(pentan-3-yl)amino]benzenecarboximidamide
CID 82798849
3-chloro-N'-hydroxy-4-(1-methoxypropan-2-yloxy)benzenecarboximidamide
CID 77015882
3-bromo-4-cyclobutyloxy-N'-hydroxybenzenecarboximidamide
CID 82800147

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-butan-2-yloxy-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3-bromo-4-butan-2-yloxy-N'-hydroxybenzenecarboximidamide (CID 82800140) is 3-bromo-4-butan-2-yloxy-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-bromo-4-butan-2-yloxy-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-bromo-4-butan-2-yloxy-N'-hydroxybenzenecarboximidamide is CCC(C)Oc1ccc(/C(N)=N/O)cc1Br.
What is the InChIKey of 3-bromo-4-butan-2-yloxy-N'-hydroxybenzenecarboximidamide?
The InChIKey is SMCVUFUDLCSAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-3-7(2)16-10-5-4-8(6-9(10)12)11(13)14-15/h4-7,15H,3H2,1-2H3,(H2,13,14).
What are the key properties of 3-bromo-4-butan-2-yloxy-N'-hydroxybenzenecarboximidamide?
3-bromo-4-butan-2-yloxy-N'-hydroxybenzenecarboximidamide has a molecular weight of 287.16 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-butan-2-yloxy-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 82800140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).