4-(4-bromophenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide

C12H17BrN2O2 — CID 77062663

IUPAC4-(4-bromophenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide
SMILESCC(C)(CCOc1ccc(Br)cc1)C(N)=NO
InChIInChI=1S/C12H17BrN2O2/c1-12(2,11(14)15-16)7-8-17-10-5-3-9(13)4-6-10/h3-6,16H,7-8H2,1-2H3,(H2,14,15)
InChIKeyMLUVNMNAQXGHAX-UHFFFAOYSA-N
MW301.18 g/mol
LogP2.99
Rot. Bonds5

About 4-(4-bromophenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide

4-(4-bromophenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide (PubChem CID 77062663) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is 4-(4-bromophenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide.

Molecular Properties

Compound Name4-(4-bromophenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide
PubChem CID77062663
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC Name4-(4-bromophenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide
SMILESCC(C)(CCOc1ccc(Br)cc1)C(N)=NO
InChIInChI=1S/C12H17BrN2O2/c1-12(2,11(14)15-16)7-8-17-10-5-3-9(13)4-6-10/h3-6,16H,7-8H2,1-2H3,(H2,14,15)
InChIKeyMLUVNMNAQXGHAX-UHFFFAOYSA-N
XLogP2.99
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 52.99
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

N'-hydroxy-4-[4-(hydroxymethyl)phenoxy]-2,2-dimethylbutanimidamide
CID 77062709
N'-hydroxy-5-(4-methoxyphenoxy)-2,2-dimethylpentanimidamide
CID 77063242
4-(3,5-dimethylphenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062743
4-(2-bromophenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062701
4-(3-ethylphenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062790
6-(4-bromo-3-fluorophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711864
5-(3,4-dimethylphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063405
5-(4-bromo-2-methylphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063274
6-(2,4-dibromophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711858
6-[(5-bromo-3-pyridinyl)oxy]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711855
N'-hydroxy-2,2-dimethyl-5-naphthalen-2-yloxypentanimidamide
CID 77063288
6-(4-bromo-2-fluorophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711792

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide?
The IUPAC name of 4-(4-bromophenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide (CID 77062663) is 4-(4-bromophenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide.
What is the SMILES notation for 4-(4-bromophenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide?
The canonical SMILES for 4-(4-bromophenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide is CC(C)(CCOc1ccc(Br)cc1)C(N)=NO.
What is the InChIKey of 4-(4-bromophenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide?
The InChIKey is MLUVNMNAQXGHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c1-12(2,11(14)15-16)7-8-17-10-5-3-9(13)4-6-10/h3-6,16H,7-8H2,1-2H3,(H2,14,15).
What are the key properties of 4-(4-bromophenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide?
4-(4-bromophenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide has a molecular weight of 301.18 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide is sourced from PubChem (CID 77062663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).