4-(2-chloro-4-fluorophenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide

C12H16ClFN2O2 — CID 77062624

IUPAC4-(2-chloro-4-fluorophenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide
SMILESCC(C)(CCOc1ccc(F)cc1Cl)C(N)=NO
InChIInChI=1S/C12H16ClFN2O2/c1-12(2,11(15)16-17)5-6-18-10-4-3-8(14)7-9(10)13/h3-4,7,17H,5-6H2,1-2H3,(H2,15,16)
InChIKeyAJSGQNYWALGRMT-UHFFFAOYSA-N
MW274.72 g/mol
LogP3.02
Rot. Bonds5

About 4-(2-chloro-4-fluorophenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide

4-(2-chloro-4-fluorophenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide (PubChem CID 77062624) has the molecular formula C12H16ClFN2O2 and a molecular weight of 274.72 g/mol. Its IUPAC name is 4-(2-chloro-4-fluorophenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide.

Molecular Properties

Compound Name4-(2-chloro-4-fluorophenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide
PubChem CID77062624
Molecular FormulaC12H16ClFN2O2
Molecular Weight274.72 g/mol
Exact Mass274.09
IUPAC Name4-(2-chloro-4-fluorophenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide
SMILESCC(C)(CCOc1ccc(F)cc1Cl)C(N)=NO
InChIInChI=1S/C12H16ClFN2O2/c1-12(2,11(15)16-17)5-6-18-10-4-3-8(14)7-9(10)13/h3-4,7,17H,5-6H2,1-2H3,(H2,15,16)
InChIKeyAJSGQNYWALGRMT-UHFFFAOYSA-N
XLogP3.02
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.72
LogP ≤ 53.02
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

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
4-(2-bromophenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062701
4-(2-chloro-5-fluoroanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 107528785
4-(2,4-dichlorophenoxy)-2,2-dimethylbutanethioamide
CID 65249358
5-(3-chloro-4-methoxyanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063921
6-(5-bromo-2-chlorophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711852
6-(4-bromo-2-fluorophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711792
4-(2,4-difluorophenyl)sulfanyl-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062416
2-(2-chloro-4-fluorophenoxy)ethyl N-methylcarbamate
CID 146277256
6-(2,4-dibromophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711858
5-(4-bromo-2-methylphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063274

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-fluorophenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide?
The IUPAC name of 4-(2-chloro-4-fluorophenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide (CID 77062624) is 4-(2-chloro-4-fluorophenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide.
What is the SMILES notation for 4-(2-chloro-4-fluorophenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide?
The canonical SMILES for 4-(2-chloro-4-fluorophenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide is CC(C)(CCOc1ccc(F)cc1Cl)C(N)=NO.
What is the InChIKey of 4-(2-chloro-4-fluorophenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide?
The InChIKey is AJSGQNYWALGRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O2/c1-12(2,11(15)16-17)5-6-18-10-4-3-8(14)7-9(10)13/h3-4,7,17H,5-6H2,1-2H3,(H2,15,16).
What are the key properties of 4-(2-chloro-4-fluorophenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide?
4-(2-chloro-4-fluorophenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide has a molecular weight of 274.72 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-fluorophenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide is sourced from PubChem (CID 77062624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).