2-(3-chloro-2-fluorophenoxy)-N'-hydroxy-6-methylsulfanylbenzenecarboximidamide

C14H12ClFN2O2S — CID 116689183

IUPAC2-(3-chloro-2-fluorophenoxy)-N'-hydroxy-6-methylsulfanylbenzenecarboximidamide
SMILESCSc1cccc(Oc2cccc(Cl)c2F)c1/C(N)=N/O
InChIInChI=1S/C14H12ClFN2O2S/c1-21-11-7-3-5-9(12(11)14(17)18-19)20-10-6-2-4-8(15)13(10)16/h2-7,19H,1H3,(H2,17,18)
InChIKeyUWXYRUQAMPUFFI-UHFFFAOYSA-N
MW326.78 g/mol
LogP4.09
Rot. Bonds4

About 2-(3-chloro-2-fluorophenoxy)-N'-hydroxy-6-methylsulfanylbenzenecarboximidamide

2-(3-chloro-2-fluorophenoxy)-N'-hydroxy-6-methylsulfanylbenzenecarboximidamide (PubChem CID 116689183) has the molecular formula C14H12ClFN2O2S and a molecular weight of 326.78 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenoxy)-N'-hydroxy-6-methylsulfanylbenzenecarboximidamide.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenoxy)-N'-hydroxy-6-methylsulfanylbenzenecarboximidamide
PubChem CID116689183
Molecular FormulaC14H12ClFN2O2S
Molecular Weight326.78 g/mol
Exact Mass326.03
IUPAC Name2-(3-chloro-2-fluorophenoxy)-N'-hydroxy-6-methylsulfanylbenzenecarboximidamide
SMILESCSc1cccc(Oc2cccc(Cl)c2F)c1/C(N)=N/O
InChIInChI=1S/C14H12ClFN2O2S/c1-21-11-7-3-5-9(12(11)14(17)18-19)20-10-6-2-4-8(15)13(10)16/h2-7,19H,1H3,(H2,17,18)
InChIKeyUWXYRUQAMPUFFI-UHFFFAOYSA-N
XLogP4.09
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(5-bromo-2-fluorophenoxy)-N'-hydroxy-6-methylsulfanylbenzenecarboximidamide
CID 114673561
2-chloro-N'-hydroxy-6-(4-methylsulfanylphenoxy)benzenecarboximidamide
CID 77003464
4-chloro-2-(3-chloro-2-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 116689156
1-chloro-3-(3-chloro-2-fluorophenoxy)-2-fluorobenzene
CID 141078897
2-chloro-N'-hydroxy-6-(2-methylphenoxy)benzenecarboximidamide
CID 76945119
2-(5-bromo-2-fluorophenoxy)-6-chloro-N'-hydroxybenzenecarboximidamide
CID 114673544
2-chloro-6-(3,5-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 76999537
2-(4-chlorophenoxy)-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 79519262
2-chloro-6-(2-methylsulfanylphenoxy)benzoic acid
CID 63648866
2-chloro-N'-hydroxy-6-(2,3,6-trimethylphenoxy)benzenecarboximidamide
CID 76997687
(1R)-1-[2-(3-chloro-2-fluorophenoxy)-6-fluorophenyl]ethanamine
CID 104892670
2-chloro-6-ethylsulfanyl-N'-hydroxybenzenecarboximidamide
CID 76945000

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenoxy)-N'-hydroxy-6-methylsulfanylbenzenecarboximidamide?
The IUPAC name of 2-(3-chloro-2-fluorophenoxy)-N'-hydroxy-6-methylsulfanylbenzenecarboximidamide (CID 116689183) is 2-(3-chloro-2-fluorophenoxy)-N'-hydroxy-6-methylsulfanylbenzenecarboximidamide.
What is the SMILES notation for 2-(3-chloro-2-fluorophenoxy)-N'-hydroxy-6-methylsulfanylbenzenecarboximidamide?
The canonical SMILES for 2-(3-chloro-2-fluorophenoxy)-N'-hydroxy-6-methylsulfanylbenzenecarboximidamide is CSc1cccc(Oc2cccc(Cl)c2F)c1/C(N)=N/O.
What is the InChIKey of 2-(3-chloro-2-fluorophenoxy)-N'-hydroxy-6-methylsulfanylbenzenecarboximidamide?
The InChIKey is UWXYRUQAMPUFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O2S/c1-21-11-7-3-5-9(12(11)14(17)18-19)20-10-6-2-4-8(15)13(10)16/h2-7,19H,1H3,(H2,17,18).
What are the key properties of 2-(3-chloro-2-fluorophenoxy)-N'-hydroxy-6-methylsulfanylbenzenecarboximidamide?
2-(3-chloro-2-fluorophenoxy)-N'-hydroxy-6-methylsulfanylbenzenecarboximidamide has a molecular weight of 326.78 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenoxy)-N'-hydroxy-6-methylsulfanylbenzenecarboximidamide is sourced from PubChem (CID 116689183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).