2-(2-chlorophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide

C13H10ClFN2O2 — CID 55232502

IUPAC2-(2-chlorophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1cc(F)ccc1Oc1ccccc1Cl
InChIInChI=1S/C13H10ClFN2O2/c14-10-3-1-2-4-12(10)19-11-6-5-8(15)7-9(11)13(16)17-18/h1-7,18H,(H2,16,17)
InChIKeyAKMDYHIHESGOMU-UHFFFAOYSA-N
MW280.69 g/mol
LogP3.37
Rot. Bonds3

About 2-(2-chlorophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide

2-(2-chlorophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 55232502) has the molecular formula C13H10ClFN2O2 and a molecular weight of 280.69 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID55232502
Molecular FormulaC13H10ClFN2O2
Molecular Weight280.69 g/mol
Exact Mass280.04
IUPAC Name2-(2-chlorophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1cc(F)ccc1Oc1ccccc1Cl
InChIInChI=1S/C13H10ClFN2O2/c14-10-3-1-2-4-12(10)19-11-6-5-8(15)7-9(11)13(16)17-18/h1-7,18H,(H2,16,17)
InChIKeyAKMDYHIHESGOMU-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-(2-chloro-4-methylphenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004117
2-(2-chlorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930089
2-(2-bromophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004436
5-chloro-2-(2,5-difluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 76992475
2-(3-chloro-4-fluorophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77010316
2-(4-chloro-3-methylphenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004510
2-(3,5-dimethylphenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004432
5-fluoro-N'-hydroxy-2-(2,3,5-trimethylphenoxy)benzenecarboximidamide
CID 77004548
5-fluoro-N'-hydroxy-2-(3-methoxyphenoxy)benzenecarboximidamide
CID 77004508
2-(2,4-difluorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930131
2-(3-bromo-5-fluorophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 81331722
4-chloro-2-(3-chloro-2-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 116689156

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-(2-chlorophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide (CID 55232502) is 2-(2-chlorophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-(2-chlorophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1cc(F)ccc1Oc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is AKMDYHIHESGOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O2/c14-10-3-1-2-4-12(10)19-11-6-5-8(15)7-9(11)13(16)17-18/h1-7,18H,(H2,16,17).
What are the key properties of 2-(2-chlorophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide?
2-(2-chlorophenoxy)-5-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-(2-chlorophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 55232502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).