5-chloro-2-(2,5-difluorophenoxy)-N'-hydroxybenzenecarboximidamide

C13H9ClF2N2O2 — CID 76992475

IUPAC5-chloro-2-(2,5-difluorophenoxy)-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1cc(Cl)ccc1Oc1cc(F)ccc1F
InChIInChI=1S/C13H9ClF2N2O2/c14-7-1-4-11(9(5-7)13(17)18-19)20-12-6-8(15)2-3-10(12)16/h1-6,19H,(H2,17,18)
InChIKeyCXANXSFYETZANM-UHFFFAOYSA-N
MW298.68 g/mol
LogP3.51
Rot. Bonds3

About 5-chloro-2-(2,5-difluorophenoxy)-N'-hydroxybenzenecarboximidamide

5-chloro-2-(2,5-difluorophenoxy)-N'-hydroxybenzenecarboximidamide (PubChem CID 76992475) has the molecular formula C13H9ClF2N2O2 and a molecular weight of 298.68 g/mol. Its IUPAC name is 5-chloro-2-(2,5-difluorophenoxy)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name5-chloro-2-(2,5-difluorophenoxy)-N'-hydroxybenzenecarboximidamide
PubChem CID76992475
Molecular FormulaC13H9ClF2N2O2
Molecular Weight298.68 g/mol
Exact Mass298.03
IUPAC Name5-chloro-2-(2,5-difluorophenoxy)-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1cc(Cl)ccc1Oc1cc(F)ccc1F
InChIInChI=1S/C13H9ClF2N2O2/c14-7-1-4-11(9(5-7)13(17)18-19)20-12-6-8(15)2-3-10(12)16/h1-6,19H,(H2,17,18)
InChIKeyCXANXSFYETZANM-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-(2-chlorophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 55232502
2-(3-chloro-4-fluorophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77010316
2-(3-bromo-5-fluorophenoxy)-5-chloro-N'-hydroxybenzenecarboximidamide
CID 81331312
2-(2-chloro-4-methylphenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004117
5-chloro-2-(2-chloro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 76953392
2-(2,4-difluorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930131
5-chloro-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 82490852
2-(4-bromo-3-fluorophenoxy)-5-chloro-N'-hydroxybenzenecarboximidamide
CID 77059489
3-bromo-4-(2,5-difluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 82799197
2-(2-bromophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004436
2-(2-bromo-4-methylphenoxy)-5-chloro-N'-hydroxybenzenecarboximidamide
CID 76944539
5-chloro-N'-hydroxy-2-(2-nitrophenoxy)benzenecarboximidamide
CID 76944716

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2,5-difluorophenoxy)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 5-chloro-2-(2,5-difluorophenoxy)-N'-hydroxybenzenecarboximidamide (CID 76992475) is 5-chloro-2-(2,5-difluorophenoxy)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 5-chloro-2-(2,5-difluorophenoxy)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 5-chloro-2-(2,5-difluorophenoxy)-N'-hydroxybenzenecarboximidamide is NC(=NO)c1cc(Cl)ccc1Oc1cc(F)ccc1F.
What is the InChIKey of 5-chloro-2-(2,5-difluorophenoxy)-N'-hydroxybenzenecarboximidamide?
The InChIKey is CXANXSFYETZANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF2N2O2/c14-7-1-4-11(9(5-7)13(17)18-19)20-12-6-8(15)2-3-10(12)16/h1-6,19H,(H2,17,18).
What are the key properties of 5-chloro-2-(2,5-difluorophenoxy)-N'-hydroxybenzenecarboximidamide?
5-chloro-2-(2,5-difluorophenoxy)-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 5-chloro-2-(2,5-difluorophenoxy)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 76992475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).