2-(4-bromophenyl)-N'-hydroxy-2,3-dimethylbutanimidamide

C12H17BrN2O — CID 88572366

IUPAC2-(4-bromophenyl)-N'-hydroxy-2,3-dimethylbutanimidamide
SMILESCC(C)C(C)(/C(N)=N/O)c1ccc(Br)cc1
InChIInChI=1S/C12H17BrN2O/c1-8(2)12(3,11(14)15-16)9-4-6-10(13)7-5-9/h4-8,16H,1-3H3,(H2,14,15)
InChIKeyYUNDJJOKSVASCH-UHFFFAOYSA-N
MW285.19 g/mol
LogP3.11
Rot. Bonds3

About 2-(4-bromophenyl)-N'-hydroxy-2,3-dimethylbutanimidamide

2-(4-bromophenyl)-N'-hydroxy-2,3-dimethylbutanimidamide (PubChem CID 88572366) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N'-hydroxy-2,3-dimethylbutanimidamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N'-hydroxy-2,3-dimethylbutanimidamide
PubChem CID88572366
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name2-(4-bromophenyl)-N'-hydroxy-2,3-dimethylbutanimidamide
SMILESCC(C)C(C)(/C(N)=N/O)c1ccc(Br)cc1
InChIInChI=1S/C12H17BrN2O/c1-8(2)12(3,11(14)15-16)9-4-6-10(13)7-5-9/h4-8,16H,1-3H3,(H2,14,15)
InChIKeyYUNDJJOKSVASCH-UHFFFAOYSA-N
XLogP3.11
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N'-hydroxy-2,3-dimethylbutanimidamide?
The IUPAC name of 2-(4-bromophenyl)-N'-hydroxy-2,3-dimethylbutanimidamide (CID 88572366) is 2-(4-bromophenyl)-N'-hydroxy-2,3-dimethylbutanimidamide.
What is the SMILES notation for 2-(4-bromophenyl)-N'-hydroxy-2,3-dimethylbutanimidamide?
The canonical SMILES for 2-(4-bromophenyl)-N'-hydroxy-2,3-dimethylbutanimidamide is CC(C)C(C)(/C(N)=N/O)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N'-hydroxy-2,3-dimethylbutanimidamide?
The InChIKey is YUNDJJOKSVASCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-8(2)12(3,11(14)15-16)9-4-6-10(13)7-5-9/h4-8,16H,1-3H3,(H2,14,15).
What are the key properties of 2-(4-bromophenyl)-N'-hydroxy-2,3-dimethylbutanimidamide?
2-(4-bromophenyl)-N'-hydroxy-2,3-dimethylbutanimidamide has a molecular weight of 285.19 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N'-hydroxy-2,3-dimethylbutanimidamide is sourced from PubChem (CID 88572366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).