3-fluoro-N'-hydroxy-4-(2-methylpentoxymethyl)benzenecarboximidamide

C14H21FN2O2 — CID 103283920

IUPAC3-fluoro-N'-hydroxy-4-(2-methylpentoxymethyl)benzenecarboximidamide
SMILESCCCC(C)COCc1ccc(/C(N)=N/O)cc1F
InChIInChI=1S/C14H21FN2O2/c1-3-4-10(2)8-19-9-12-6-5-11(7-13(12)15)14(16)17-18/h5-7,10,18H,3-4,8-9H2,1-2H3,(H2,16,17)
InChIKeyZSQUCVRDILFOAF-UHFFFAOYSA-N
MW268.33 g/mol
LogP2.87
Rot. Bonds7

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

3-fluoro-N'-hydroxy-4-(2-methylpentoxymethyl)benzenecarboximidamide (PubChem CID 103283920) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 3-fluoro-N'-hydroxy-4-(2-methylpentoxymethyl)benzenecarboximidamide.

Molecular Properties

Compound Name3-fluoro-N'-hydroxy-4-(2-methylpentoxymethyl)benzenecarboximidamide
PubChem CID103283920
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name3-fluoro-N'-hydroxy-4-(2-methylpentoxymethyl)benzenecarboximidamide
SMILESCCCC(C)COCc1ccc(/C(N)=N/O)cc1F
InChIInChI=1S/C14H21FN2O2/c1-3-4-10(2)8-19-9-12-6-5-11(7-13(12)15)14(16)17-18/h5-7,10,18H,3-4,8-9H2,1-2H3,(H2,16,17)
InChIKeyZSQUCVRDILFOAF-UHFFFAOYSA-N
XLogP2.87
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 52.87
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

4-(2,2-difluoroethoxymethyl)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 82005290
N'-hydroxy-4-(2-methylpentoxymethyl)benzenecarboximidamide
CID 103283917
3,5-difluoro-N'-hydroxy-4-(2-methylpentoxy)benzenecarboximidamide
CID 103283904
3-fluoro-N'-hydroxy-4-(2,2,2-trifluoroethoxymethyl)benzenecarboximidamide
CID 24708972
3-fluoro-N'-hydroxy-4-(3,3,3-trifluoropropoxymethyl)benzenecarboximidamide
CID 82955096
3-fluoro-N'-hydroxy-4-(2-methylbutan-2-yloxymethyl)benzenecarboximidamide
CID 43128405
3-[3-fluoro-4-(2-methylpentoxymethyl)phenyl]prop-2-yn-1-ol
CID 103284681
3-fluoro-N'-hydroxy-4-[(4-methylcyclohexyl)oxymethyl]benzenecarboximidamide
CID 24692373
4-[(4-bromophenyl)methoxymethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 82805765
3-fluoro-N'-hydroxy-4-(3-methylbutan-2-ylsulfanylmethyl)benzenecarboximidamide
CID 107749878
3-fluoro-4-[(heptan-2-ylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77031929
4-(butylsulfanylmethyl)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43615816

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N'-hydroxy-4-(2-methylpentoxymethyl)benzenecarboximidamide?
The IUPAC name of 3-fluoro-N'-hydroxy-4-(2-methylpentoxymethyl)benzenecarboximidamide (CID 103283920) is 3-fluoro-N'-hydroxy-4-(2-methylpentoxymethyl)benzenecarboximidamide.
What is the SMILES notation for 3-fluoro-N'-hydroxy-4-(2-methylpentoxymethyl)benzenecarboximidamide?
The canonical SMILES for 3-fluoro-N'-hydroxy-4-(2-methylpentoxymethyl)benzenecarboximidamide is CCCC(C)COCc1ccc(/C(N)=N/O)cc1F.
What is the InChIKey of 3-fluoro-N'-hydroxy-4-(2-methylpentoxymethyl)benzenecarboximidamide?
The InChIKey is ZSQUCVRDILFOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-3-4-10(2)8-19-9-12-6-5-11(7-13(12)15)14(16)17-18/h5-7,10,18H,3-4,8-9H2,1-2H3,(H2,16,17).
What are the key properties of 3-fluoro-N'-hydroxy-4-(2-methylpentoxymethyl)benzenecarboximidamide?
3-fluoro-N'-hydroxy-4-(2-methylpentoxymethyl)benzenecarboximidamide has a molecular weight of 268.33 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N'-hydroxy-4-(2-methylpentoxymethyl)benzenecarboximidamide is sourced from PubChem (CID 103283920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).