3-fluoro-N'-hydroxy-4-(oxan-2-ylmethoxymethyl)benzenecarboximidamide

C14H19FN2O3 — CID 24690264

IUPAC3-fluoro-N'-hydroxy-4-(oxan-2-ylmethoxymethyl)benzenecarboximidamide
SMILESN/C(=N\O)c1ccc(COCC2CCCCO2)c(F)c1
InChIInChI=1S/C14H19FN2O3/c15-13-7-10(14(16)17-18)4-5-11(13)8-19-9-12-3-1-2-6-20-12/h4-5,7,12,18H,1-3,6,8-9H2,(H2,16,17)
InChIKeyOXPUMLTXFHMCGT-UHFFFAOYSA-N
MW282.31 g/mol
LogP2.01
Rot. Bonds5

About 3-fluoro-N'-hydroxy-4-(oxan-2-ylmethoxymethyl)benzenecarboximidamide

3-fluoro-N'-hydroxy-4-(oxan-2-ylmethoxymethyl)benzenecarboximidamide (PubChem CID 24690264) has the molecular formula C14H19FN2O3 and a molecular weight of 282.31 g/mol. Its IUPAC name is 3-fluoro-N'-hydroxy-4-(oxan-2-ylmethoxymethyl)benzenecarboximidamide.

Molecular Properties

Compound Name3-fluoro-N'-hydroxy-4-(oxan-2-ylmethoxymethyl)benzenecarboximidamide
PubChem CID24690264
Molecular FormulaC14H19FN2O3
Molecular Weight282.31 g/mol
Exact Mass282.14
IUPAC Name3-fluoro-N'-hydroxy-4-(oxan-2-ylmethoxymethyl)benzenecarboximidamide
SMILESN/C(=N\O)c1ccc(COCC2CCCCO2)c(F)c1
InChIInChI=1S/C14H19FN2O3/c15-13-7-10(14(16)17-18)4-5-11(13)8-19-9-12-3-1-2-6-20-12/h4-5,7,12,18H,1-3,6,8-9H2,(H2,16,17)
InChIKeyOXPUMLTXFHMCGT-UHFFFAOYSA-N
XLogP2.01
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 52.01
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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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N'-hydroxy-4-(oxan-2-ylmethoxymethyl)benzenecarboximidamide?
The IUPAC name of 3-fluoro-N'-hydroxy-4-(oxan-2-ylmethoxymethyl)benzenecarboximidamide (CID 24690264) is 3-fluoro-N'-hydroxy-4-(oxan-2-ylmethoxymethyl)benzenecarboximidamide.
What is the SMILES notation for 3-fluoro-N'-hydroxy-4-(oxan-2-ylmethoxymethyl)benzenecarboximidamide?
The canonical SMILES for 3-fluoro-N'-hydroxy-4-(oxan-2-ylmethoxymethyl)benzenecarboximidamide is N/C(=N\O)c1ccc(COCC2CCCCO2)c(F)c1.
What is the InChIKey of 3-fluoro-N'-hydroxy-4-(oxan-2-ylmethoxymethyl)benzenecarboximidamide?
The InChIKey is OXPUMLTXFHMCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3/c15-13-7-10(14(16)17-18)4-5-11(13)8-19-9-12-3-1-2-6-20-12/h4-5,7,12,18H,1-3,6,8-9H2,(H2,16,17).
What are the key properties of 3-fluoro-N'-hydroxy-4-(oxan-2-ylmethoxymethyl)benzenecarboximidamide?
3-fluoro-N'-hydroxy-4-(oxan-2-ylmethoxymethyl)benzenecarboximidamide has a molecular weight of 282.31 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N'-hydroxy-4-(oxan-2-ylmethoxymethyl)benzenecarboximidamide is sourced from PubChem (CID 24690264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).