2-fluoro-N'-hydroxy-6-[methyl(oxan-4-yl)amino]benzenecarboximidamide

C13H18FN3O2 — CID 79519341

IUPAC2-fluoro-N'-hydroxy-6-[methyl(oxan-4-yl)amino]benzenecarboximidamide
SMILESCN(c1cccc(F)c1C(N)=NO)C1CCOCC1
InChIInChI=1S/C13H18FN3O2/c1-17(9-5-7-19-8-6-9)11-4-2-3-10(14)12(11)13(15)16-18/h2-4,9,18H,5-8H2,1H3,(H2,15,16)
InChIKeyRYLZTZAKVADZAV-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.54
Rot. Bonds3

About 2-fluoro-N'-hydroxy-6-[methyl(oxan-4-yl)amino]benzenecarboximidamide

2-fluoro-N'-hydroxy-6-[methyl(oxan-4-yl)amino]benzenecarboximidamide (PubChem CID 79519341) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is 2-fluoro-N'-hydroxy-6-[methyl(oxan-4-yl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name2-fluoro-N'-hydroxy-6-[methyl(oxan-4-yl)amino]benzenecarboximidamide
PubChem CID79519341
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC Name2-fluoro-N'-hydroxy-6-[methyl(oxan-4-yl)amino]benzenecarboximidamide
SMILESCN(c1cccc(F)c1C(N)=NO)C1CCOCC1
InChIInChI=1S/C13H18FN3O2/c1-17(9-5-7-19-8-6-9)11-4-2-3-10(14)12(11)13(15)16-18/h2-4,9,18H,5-8H2,1H3,(H2,15,16)
InChIKeyRYLZTZAKVADZAV-UHFFFAOYSA-N
XLogP1.54
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.54
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 2-fluoro-N'-hydroxy-6-[methyl(oxan-4-yl)amino]benzenecarboximidamide?
The IUPAC name of 2-fluoro-N'-hydroxy-6-[methyl(oxan-4-yl)amino]benzenecarboximidamide (CID 79519341) is 2-fluoro-N'-hydroxy-6-[methyl(oxan-4-yl)amino]benzenecarboximidamide.
What is the SMILES notation for 2-fluoro-N'-hydroxy-6-[methyl(oxan-4-yl)amino]benzenecarboximidamide?
The canonical SMILES for 2-fluoro-N'-hydroxy-6-[methyl(oxan-4-yl)amino]benzenecarboximidamide is CN(c1cccc(F)c1C(N)=NO)C1CCOCC1.
What is the InChIKey of 2-fluoro-N'-hydroxy-6-[methyl(oxan-4-yl)amino]benzenecarboximidamide?
The InChIKey is RYLZTZAKVADZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c1-17(9-5-7-19-8-6-9)11-4-2-3-10(14)12(11)13(15)16-18/h2-4,9,18H,5-8H2,1H3,(H2,15,16).
What are the key properties of 2-fluoro-N'-hydroxy-6-[methyl(oxan-4-yl)amino]benzenecarboximidamide?
2-fluoro-N'-hydroxy-6-[methyl(oxan-4-yl)amino]benzenecarboximidamide has a molecular weight of 267.30 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-hydroxy-6-[methyl(oxan-4-yl)amino]benzenecarboximidamide is sourced from PubChem (CID 79519341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).