2-(2-chloro-4-fluorophenoxy)-N'-hydroxybutanimidamide

C10H12ClFN2O2 — CID 76915922

IUPAC2-(2-chloro-4-fluorophenoxy)-N'-hydroxybutanimidamide
SMILESCCC(Oc1ccc(F)cc1Cl)C(N)=NO
InChIInChI=1S/C10H12ClFN2O2/c1-2-8(10(13)14-15)16-9-4-3-6(12)5-7(9)11/h3-5,8,15H,2H2,1H3,(H2,13,14)
InChIKeyZGAWUXSVFJYSLP-UHFFFAOYSA-N
MW246.67 g/mol
LogP2.38
Rot. Bonds4

About 2-(2-chloro-4-fluorophenoxy)-N'-hydroxybutanimidamide

2-(2-chloro-4-fluorophenoxy)-N'-hydroxybutanimidamide (PubChem CID 76915922) has the molecular formula C10H12ClFN2O2 and a molecular weight of 246.67 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenoxy)-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenoxy)-N'-hydroxybutanimidamide
PubChem CID76915922
Molecular FormulaC10H12ClFN2O2
Molecular Weight246.67 g/mol
Exact Mass246.06
IUPAC Name2-(2-chloro-4-fluorophenoxy)-N'-hydroxybutanimidamide
SMILESCCC(Oc1ccc(F)cc1Cl)C(N)=NO
InChIInChI=1S/C10H12ClFN2O2/c1-2-8(10(13)14-15)16-9-4-3-6(12)5-7(9)11/h3-5,8,15H,2H2,1H3,(H2,13,14)
InChIKeyZGAWUXSVFJYSLP-UHFFFAOYSA-N
XLogP2.38
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.67
LogP ≤ 52.38
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

2-(4-chloronaphthalen-1-yl)oxy-N'-hydroxybutanimidamide
CID 76915869
2-(2-chloro-4-fluorophenoxy)-1-pyrimidin-5-ylbutan-1-one
CID 86153931
2-(2-chloro-4-fluorophenoxy)-3-methoxypropanehydrazide
CID 103229273
(2R)-2-(2,4-dichlorophenoxy)-N'-hydroxypropanimidamide
CID 7222417
2-(2,5-difluoro-4-nitrophenoxy)-N'-hydroxybutanimidamide
CID 55217418
(2S)-N'-hydroxy-2-(4-methoxyphenoxy)butanimidamide
CID 123956670
4-(2-chloro-4-fluorophenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062624
2-(1-amino-1-oxobutan-2-yl)oxy-5-fluorobenzoic acid
CID 115297987
4-(1-amino-1-oxobutan-2-yl)oxy-3-chlorobenzoic acid
CID 62900576
3-(2-chloro-4-fluoroanilino)-N'-hydroxy-2-methylpropanimidamide
CID 77027933
1-(2-chloro-4-fluorophenoxy)-1-(3-chlorophenyl)butan-2-amine
CID 63461040
6-(2-chloro-4-fluorophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711821

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N'-hydroxybutanimidamide?
The IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N'-hydroxybutanimidamide (CID 76915922) is 2-(2-chloro-4-fluorophenoxy)-N'-hydroxybutanimidamide.
What is the SMILES notation for 2-(2-chloro-4-fluorophenoxy)-N'-hydroxybutanimidamide?
The canonical SMILES for 2-(2-chloro-4-fluorophenoxy)-N'-hydroxybutanimidamide is CCC(Oc1ccc(F)cc1Cl)C(N)=NO.
What is the InChIKey of 2-(2-chloro-4-fluorophenoxy)-N'-hydroxybutanimidamide?
The InChIKey is ZGAWUXSVFJYSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2O2/c1-2-8(10(13)14-15)16-9-4-3-6(12)5-7(9)11/h3-5,8,15H,2H2,1H3,(H2,13,14).
What are the key properties of 2-(2-chloro-4-fluorophenoxy)-N'-hydroxybutanimidamide?
2-(2-chloro-4-fluorophenoxy)-N'-hydroxybutanimidamide has a molecular weight of 246.67 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenoxy)-N'-hydroxybutanimidamide is sourced from PubChem (CID 76915922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).