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

C12H17BrN2O — CID 127264014

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 127264014) 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 CID127264014
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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Related Compounds

2-(4-bromophenyl)-N'-hydroxy-2,3-dimethylbutanimidamide
CID 88572366
1-N-[1-amino-2-(4-bromophenyl)-2,3-dimethylbutylidene]-4-N,4-N-dimethylpiperazine-1,4-dicarboxamide
CID 123659064
2-(4-bromophenyl)-3-methylbutan-2-amine;hydrochloride
CID 75525874
N-[1-amino-2-(4-bromophenyl)-2,3-dimethylbutylidene]-3-oxopiperazine-1-carboxamide
CID 123834368
3-amino-N-[1-(4-bromophenyl)ethyl]-3-hydroxyimino-2,2-dimethylpropanamide
CID 76921569
(2S)-3-amino-2-(4-bromophenyl)butan-2-ol
CID 153252372
2-[[(2R)-2-(4-bromophenyl)-3-methylbutan-2-yl]amino]acetamide
CID 124624155
4-(4-bromophenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062663
2-[[(2S)-2-(4-bromophenyl)-3-methylbutan-2-yl]amino]acetamide
CID 124624154
(2R,3R)-2,3-bis(4-bromophenyl)butane-2,3-diol
CID 100920235
2-(4-bromophenyl)propan-2-amine;hydroiodide
CID 163210830
2-(4-bromophenyl)-3-methylpentan-2-ol
CID 79445926

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 127264014) 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 127264014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).