2-fluoro-N'-hydroxy-6-[1-methoxypropan-2-yl(methyl)amino]benzenecarboximidamide

C12H18FN3O2 — CID 79519343

IUPAC2-fluoro-N'-hydroxy-6-[1-methoxypropan-2-yl(methyl)amino]benzenecarboximidamide
SMILESCOCC(C)N(C)c1cccc(F)c1C(N)=NO
InChIInChI=1S/C12H18FN3O2/c1-8(7-18-3)16(2)10-6-4-5-9(13)11(10)12(14)15-17/h4-6,8,17H,7H2,1-3H3,(H2,14,15)
InChIKeyFYYLUCXLFYJPRE-UHFFFAOYSA-N
MW255.29 g/mol
LogP1.39
Rot. Bonds5

About 2-fluoro-N'-hydroxy-6-[1-methoxypropan-2-yl(methyl)amino]benzenecarboximidamide

2-fluoro-N'-hydroxy-6-[1-methoxypropan-2-yl(methyl)amino]benzenecarboximidamide (PubChem CID 79519343) has the molecular formula C12H18FN3O2 and a molecular weight of 255.29 g/mol. Its IUPAC name is 2-fluoro-N'-hydroxy-6-[1-methoxypropan-2-yl(methyl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name2-fluoro-N'-hydroxy-6-[1-methoxypropan-2-yl(methyl)amino]benzenecarboximidamide
PubChem CID79519343
Molecular FormulaC12H18FN3O2
Molecular Weight255.29 g/mol
Exact Mass255.14
IUPAC Name2-fluoro-N'-hydroxy-6-[1-methoxypropan-2-yl(methyl)amino]benzenecarboximidamide
SMILESCOCC(C)N(C)c1cccc(F)c1C(N)=NO
InChIInChI=1S/C12H18FN3O2/c1-8(7-18-3)16(2)10-6-4-5-9(13)11(10)12(14)15-17/h4-6,8,17H,7H2,1-3H3,(H2,14,15)
InChIKeyFYYLUCXLFYJPRE-UHFFFAOYSA-N
XLogP1.39
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 51.39
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-[1-methoxypropan-2-yl(methyl)amino]benzenecarboximidamide?
The IUPAC name of 2-fluoro-N'-hydroxy-6-[1-methoxypropan-2-yl(methyl)amino]benzenecarboximidamide (CID 79519343) is 2-fluoro-N'-hydroxy-6-[1-methoxypropan-2-yl(methyl)amino]benzenecarboximidamide.
What is the SMILES notation for 2-fluoro-N'-hydroxy-6-[1-methoxypropan-2-yl(methyl)amino]benzenecarboximidamide?
The canonical SMILES for 2-fluoro-N'-hydroxy-6-[1-methoxypropan-2-yl(methyl)amino]benzenecarboximidamide is COCC(C)N(C)c1cccc(F)c1C(N)=NO.
What is the InChIKey of 2-fluoro-N'-hydroxy-6-[1-methoxypropan-2-yl(methyl)amino]benzenecarboximidamide?
The InChIKey is FYYLUCXLFYJPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O2/c1-8(7-18-3)16(2)10-6-4-5-9(13)11(10)12(14)15-17/h4-6,8,17H,7H2,1-3H3,(H2,14,15).
What are the key properties of 2-fluoro-N'-hydroxy-6-[1-methoxypropan-2-yl(methyl)amino]benzenecarboximidamide?
2-fluoro-N'-hydroxy-6-[1-methoxypropan-2-yl(methyl)amino]benzenecarboximidamide has a molecular weight of 255.29 g/mol, XLogP of 1.39, 5 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-[1-methoxypropan-2-yl(methyl)amino]benzenecarboximidamide is sourced from PubChem (CID 79519343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).