2-(4-chlorophenoxy)-6-fluoro-N'-hydroxybenzenecarboximidamide

C13H10ClFN2O2 — CID 79519262

IUPAC2-(4-chlorophenoxy)-6-fluoro-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1c(F)cccc1Oc1ccc(Cl)cc1
InChIInChI=1S/C13H10ClFN2O2/c14-8-4-6-9(7-5-8)19-11-3-1-2-10(15)12(11)13(16)17-18/h1-7,18H,(H2,16,17)
InChIKeyBFEYYJALPOYNME-UHFFFAOYSA-N
MW280.69 g/mol
LogP3.37
Rot. Bonds3

About 2-(4-chlorophenoxy)-6-fluoro-N'-hydroxybenzenecarboximidamide

2-(4-chlorophenoxy)-6-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 79519262) has the molecular formula C13H10ClFN2O2 and a molecular weight of 280.69 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-6-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-6-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID79519262
Molecular FormulaC13H10ClFN2O2
Molecular Weight280.69 g/mol
Exact Mass280.04
IUPAC Name2-(4-chlorophenoxy)-6-fluoro-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1c(F)cccc1Oc1ccc(Cl)cc1
InChIInChI=1S/C13H10ClFN2O2/c14-8-4-6-9(7-5-8)19-11-3-1-2-10(15)12(11)13(16)17-18/h1-7,18H,(H2,16,17)
InChIKeyBFEYYJALPOYNME-UHFFFAOYSA-N
XLogP3.37
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.69
LogP ≤ 53.37
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-fluoro-6-(4-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 79519799
2-(4-chlorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 43199980
2-chloro-N'-hydroxy-6-(4-methylsulfanylphenoxy)benzenecarboximidamide
CID 77003464
2,6-difluoro-N'-hydroxybenzenecarboximidamide
CID 3492978
2-fluoro-N'-hydroxy-6-[3-(methoxymethyl)phenoxy]benzenecarboximidamide
CID 79517922
2-chloro-6-(3,5-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 76999537
2-fluoro-N'-hydroxy-6-propan-2-yloxybenzenecarboximidamide
CID 74881969
2-fluoro-N'-hydroxy-6-(2-phenoxyethoxy)benzenecarboximidamide
CID 76914452
2-(5-bromo-2-fluorophenoxy)-6-chloro-N'-hydroxybenzenecarboximidamide
CID 114673544
2-(2,2-difluoroethoxy)-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 115281262
2-fluoro-N'-hydroxy-6-[(4-methoxyphenyl)methoxy]benzenecarboximidamide
CID 74881945
2-fluoro-N'-hydroxy-6-(2-methoxy-4-methylphenoxy)benzenecarboximidamide
CID 79517129

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-6-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-(4-chlorophenoxy)-6-fluoro-N'-hydroxybenzenecarboximidamide (CID 79519262) is 2-(4-chlorophenoxy)-6-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-6-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-(4-chlorophenoxy)-6-fluoro-N'-hydroxybenzenecarboximidamide is NC(=NO)c1c(F)cccc1Oc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-6-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is BFEYYJALPOYNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O2/c14-8-4-6-9(7-5-8)19-11-3-1-2-10(15)12(11)13(16)17-18/h1-7,18H,(H2,16,17).
What are the key properties of 2-(4-chlorophenoxy)-6-fluoro-N'-hydroxybenzenecarboximidamide?
2-(4-chlorophenoxy)-6-fluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 280.69 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-6-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 79519262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).