5-fluoro-N'-hydroxy-2-(4-methylpentan-2-yloxymethyl)benzenecarboximidamide

C14H21FN2O2 — CID 55171942

IUPAC5-fluoro-N'-hydroxy-2-(4-methylpentan-2-yloxymethyl)benzenecarboximidamide
SMILESCC(C)CC(C)OCc1ccc(F)cc1/C(N)=N/O
InChIInChI=1S/C14H21FN2O2/c1-9(2)6-10(3)19-8-11-4-5-12(15)7-13(11)14(16)17-18/h4-5,7,9-10,18H,6,8H2,1-3H3,(H2,16,17)
InChIKeyJPDSWOYDZGQUOS-UHFFFAOYSA-N
MW268.33 g/mol
LogP2.87
Rot. Bonds6

About 5-fluoro-N'-hydroxy-2-(4-methylpentan-2-yloxymethyl)benzenecarboximidamide

5-fluoro-N'-hydroxy-2-(4-methylpentan-2-yloxymethyl)benzenecarboximidamide (PubChem CID 55171942) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 5-fluoro-N'-hydroxy-2-(4-methylpentan-2-yloxymethyl)benzenecarboximidamide.

Molecular Properties

Compound Name5-fluoro-N'-hydroxy-2-(4-methylpentan-2-yloxymethyl)benzenecarboximidamide
PubChem CID55171942
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name5-fluoro-N'-hydroxy-2-(4-methylpentan-2-yloxymethyl)benzenecarboximidamide
SMILESCC(C)CC(C)OCc1ccc(F)cc1/C(N)=N/O
InChIInChI=1S/C14H21FN2O2/c1-9(2)6-10(3)19-8-11-4-5-12(15)7-13(11)14(16)17-18/h4-5,7,9-10,18H,6,8H2,1-3H3,(H2,16,17)
InChIKeyJPDSWOYDZGQUOS-UHFFFAOYSA-N
XLogP2.87
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N'-hydroxy-2-(4-methylpentan-2-yloxymethyl)benzenecarboximidamide?
The IUPAC name of 5-fluoro-N'-hydroxy-2-(4-methylpentan-2-yloxymethyl)benzenecarboximidamide (CID 55171942) is 5-fluoro-N'-hydroxy-2-(4-methylpentan-2-yloxymethyl)benzenecarboximidamide.
What is the SMILES notation for 5-fluoro-N'-hydroxy-2-(4-methylpentan-2-yloxymethyl)benzenecarboximidamide?
The canonical SMILES for 5-fluoro-N'-hydroxy-2-(4-methylpentan-2-yloxymethyl)benzenecarboximidamide is CC(C)CC(C)OCc1ccc(F)cc1/C(N)=N/O.
What is the InChIKey of 5-fluoro-N'-hydroxy-2-(4-methylpentan-2-yloxymethyl)benzenecarboximidamide?
The InChIKey is JPDSWOYDZGQUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-9(2)6-10(3)19-8-11-4-5-12(15)7-13(11)14(16)17-18/h4-5,7,9-10,18H,6,8H2,1-3H3,(H2,16,17).
What are the key properties of 5-fluoro-N'-hydroxy-2-(4-methylpentan-2-yloxymethyl)benzenecarboximidamide?
5-fluoro-N'-hydroxy-2-(4-methylpentan-2-yloxymethyl)benzenecarboximidamide has a molecular weight of 268.33 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N'-hydroxy-2-(4-methylpentan-2-yloxymethyl)benzenecarboximidamide is sourced from PubChem (CID 55171942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).