2-(3-chloro-4-fluorophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide

C13H9ClF2N2O2 — CID 77010316

IUPAC2-(3-chloro-4-fluorophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1cc(F)ccc1Oc1ccc(F)c(Cl)c1
InChIInChI=1S/C13H9ClF2N2O2/c14-10-6-8(2-3-11(10)16)20-12-4-1-7(15)5-9(12)13(17)18-19/h1-6,19H,(H2,17,18)
InChIKeyCNBLDZBGBAZUAU-UHFFFAOYSA-N
MW298.68 g/mol
LogP3.51
Rot. Bonds3

About 2-(3-chloro-4-fluorophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide

2-(3-chloro-4-fluorophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 77010316) has the molecular formula C13H9ClF2N2O2 and a molecular weight of 298.68 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID77010316
Molecular FormulaC13H9ClF2N2O2
Molecular Weight298.68 g/mol
Exact Mass298.03
IUPAC Name2-(3-chloro-4-fluorophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1cc(F)ccc1Oc1ccc(F)c(Cl)c1
InChIInChI=1S/C13H9ClF2N2O2/c14-10-6-8(2-3-11(10)16)20-12-4-1-7(15)5-9(12)13(17)18-19/h1-6,19H,(H2,17,18)
InChIKeyCNBLDZBGBAZUAU-UHFFFAOYSA-N
XLogP3.51
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.68
LogP ≤ 53.51
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-chloro-3-methylphenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004510
5-chloro-2-(2,5-difluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 76992475
2-(2-chlorophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 55232502
2-(4-bromo-3-fluorophenoxy)-5-chloro-N'-hydroxybenzenecarboximidamide
CID 77059489
2-(3,5-dimethylphenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004432
2-(2-chloro-4-methylphenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004117
5-fluoro-N'-hydroxy-2-(3-methoxyphenoxy)benzenecarboximidamide
CID 77004508
2-(3-bromo-5-fluorophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 81331722
2-(3-bromo-5-fluorophenoxy)-5-chloro-N'-hydroxybenzenecarboximidamide
CID 81331312
4-chloro-2-(3-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 55182535
2-(4-chlorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 43199980
2-chloro-4-(4-chloro-3-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 82717050

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-(3-chloro-4-fluorophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide (CID 77010316) is 2-(3-chloro-4-fluorophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide is NC(=NO)c1cc(F)ccc1Oc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-fluorophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is CNBLDZBGBAZUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF2N2O2/c14-10-6-8(2-3-11(10)16)20-12-4-1-7(15)5-9(12)13(17)18-19/h1-6,19H,(H2,17,18).
What are the key properties of 2-(3-chloro-4-fluorophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide?
2-(3-chloro-4-fluorophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 298.68 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 77010316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).