6-(5-bromo-2-chlorophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide

C14H20BrClN2O2 — CID 106711852

IUPAC6-(5-bromo-2-chlorophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide
SMILESCC(C)(CCCCOc1cc(Br)ccc1Cl)/C(N)=N/O
InChIInChI=1S/C14H20BrClN2O2/c1-14(2,13(17)18-19)7-3-4-8-20-12-9-10(15)5-6-11(12)16/h5-6,9,19H,3-4,7-8H2,1-2H3,(H2,17,18)
InChIKeyJGVAHOJSLOYZRW-UHFFFAOYSA-N
MW363.68 g/mol
LogP4.42
Rot. Bonds7

About 6-(5-bromo-2-chlorophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide

6-(5-bromo-2-chlorophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide (PubChem CID 106711852) has the molecular formula C14H20BrClN2O2 and a molecular weight of 363.68 g/mol. Its IUPAC name is 6-(5-bromo-2-chlorophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide.

Molecular Properties

Compound Name6-(5-bromo-2-chlorophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide
PubChem CID106711852
Molecular FormulaC14H20BrClN2O2
Molecular Weight363.68 g/mol
Exact Mass362.04
IUPAC Name6-(5-bromo-2-chlorophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide
SMILESCC(C)(CCCCOc1cc(Br)ccc1Cl)/C(N)=N/O
InChIInChI=1S/C14H20BrClN2O2/c1-14(2,13(17)18-19)7-3-4-8-20-12-9-10(15)5-6-11(12)16/h5-6,9,19H,3-4,7-8H2,1-2H3,(H2,17,18)
InChIKeyJGVAHOJSLOYZRW-UHFFFAOYSA-N
XLogP4.42
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.68
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

6-(2,4-dibromophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711858
6-(4-bromo-2-fluorophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711792
5-(4-bromo-2-methylphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063274
6-(2-chloro-4-fluorophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711821
N'-hydroxy-2,2-dimethyl-4-(2,4,5-trichlorophenoxy)butanimidamide
CID 77062598
5-(4-bromo-2-chloroanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063640
6-(4-bromo-2-chlorophenoxy)-2,2-dimethylhexanimidamide
CID 106712361
6-[(5-bromo-3-pyridinyl)oxy]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711855
4-(2-bromophenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062701
6-(4-bromo-3-fluorophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711864
4-(4-bromophenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062663
4-bromo-1-chloro-2-(4,4,4-trifluorobutoxy)benzene
CID 115514016

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromo-2-chlorophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide?
The IUPAC name of 6-(5-bromo-2-chlorophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide (CID 106711852) is 6-(5-bromo-2-chlorophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide.
What is the SMILES notation for 6-(5-bromo-2-chlorophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide?
The canonical SMILES for 6-(5-bromo-2-chlorophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide is CC(C)(CCCCOc1cc(Br)ccc1Cl)/C(N)=N/O.
What is the InChIKey of 6-(5-bromo-2-chlorophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide?
The InChIKey is JGVAHOJSLOYZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrClN2O2/c1-14(2,13(17)18-19)7-3-4-8-20-12-9-10(15)5-6-11(12)16/h5-6,9,19H,3-4,7-8H2,1-2H3,(H2,17,18).
What are the key properties of 6-(5-bromo-2-chlorophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide?
6-(5-bromo-2-chlorophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide has a molecular weight of 363.68 g/mol, XLogP of 4.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromo-2-chlorophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide is sourced from PubChem (CID 106711852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).