2-fluoro-N'-hydroxy-3-[(3-methoxycyclohexyl)oxymethyl]benzenecarboximidamide

C15H21FN2O3 — CID 107117665

IUPAC2-fluoro-N'-hydroxy-3-[(3-methoxycyclohexyl)oxymethyl]benzenecarboximidamide
SMILESCOC1CCCC(OCc2cccc(/C(N)=N/O)c2F)C1
InChIInChI=1S/C15H21FN2O3/c1-20-11-5-3-6-12(8-11)21-9-10-4-2-7-13(14(10)16)15(17)18-19/h2,4,7,11-12,19H,3,5-6,8-9H2,1H3,(H2,17,18)
InChIKeyGTJZPXJSAXDBCD-UHFFFAOYSA-N
MW296.34 g/mol
LogP2.39
Rot. Bonds5

About 2-fluoro-N'-hydroxy-3-[(3-methoxycyclohexyl)oxymethyl]benzenecarboximidamide

2-fluoro-N'-hydroxy-3-[(3-methoxycyclohexyl)oxymethyl]benzenecarboximidamide (PubChem CID 107117665) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is 2-fluoro-N'-hydroxy-3-[(3-methoxycyclohexyl)oxymethyl]benzenecarboximidamide.

Molecular Properties

Compound Name2-fluoro-N'-hydroxy-3-[(3-methoxycyclohexyl)oxymethyl]benzenecarboximidamide
PubChem CID107117665
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Name2-fluoro-N'-hydroxy-3-[(3-methoxycyclohexyl)oxymethyl]benzenecarboximidamide
SMILESCOC1CCCC(OCc2cccc(/C(N)=N/O)c2F)C1
InChIInChI=1S/C15H21FN2O3/c1-20-11-5-3-6-12(8-11)21-9-10-4-2-7-13(14(10)16)15(17)18-19/h2,4,7,11-12,19H,3,5-6,8-9H2,1H3,(H2,17,18)
InChIKeyGTJZPXJSAXDBCD-UHFFFAOYSA-N
XLogP2.39
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 52.39
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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Related Compounds

2-fluoro-N'-hydroxy-3-[(3-methoxypiperidin-1-yl)methyl]benzenecarboximidamide
CID 107117521
N'-hydroxy-4-[(3-methoxycyclohexyl)oxymethyl]-3-methylbenzenecarboximidamide
CID 114483299
3-(cyclopentyloxymethyl)-2-fluorobenzenecarbothioamide
CID 107115985
3-[(3-ethylcyclohexyl)oxymethyl]-2-fluorobenzenecarboximidamide
CID 107118212
2-[(3-ethylcyclohexyl)oxymethyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77034498
3-[(3-ethoxypiperidin-1-yl)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107116507
2-fluoro-N'-hydroxy-3-[2-(2-methylpropoxy)ethoxymethyl]benzenecarboximidamide
CID 107117708
2-fluoro-N'-hydroxy-3-[(3-methylcyclohexyl)sulfanylmethyl]benzenecarboximidamide
CID 107118398
3-(cyclohexyloxymethyl)-2-fluorobenzenecarboximidamide
CID 107118103
methyl 2-[2-[(3-methoxycyclohexyl)oxymethyl]phenyl]acetate
CID 115460772
2-[2-[(3-methoxycyclohexyl)oxymethyl]phenyl]acetohydrazide
CID 115465265
3-[[(3-ethylcyclohexyl)amino]methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107117141

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N'-hydroxy-3-[(3-methoxycyclohexyl)oxymethyl]benzenecarboximidamide?
The IUPAC name of 2-fluoro-N'-hydroxy-3-[(3-methoxycyclohexyl)oxymethyl]benzenecarboximidamide (CID 107117665) is 2-fluoro-N'-hydroxy-3-[(3-methoxycyclohexyl)oxymethyl]benzenecarboximidamide.
What is the SMILES notation for 2-fluoro-N'-hydroxy-3-[(3-methoxycyclohexyl)oxymethyl]benzenecarboximidamide?
The canonical SMILES for 2-fluoro-N'-hydroxy-3-[(3-methoxycyclohexyl)oxymethyl]benzenecarboximidamide is COC1CCCC(OCc2cccc(/C(N)=N/O)c2F)C1.
What is the InChIKey of 2-fluoro-N'-hydroxy-3-[(3-methoxycyclohexyl)oxymethyl]benzenecarboximidamide?
The InChIKey is GTJZPXJSAXDBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3/c1-20-11-5-3-6-12(8-11)21-9-10-4-2-7-13(14(10)16)15(17)18-19/h2,4,7,11-12,19H,3,5-6,8-9H2,1H3,(H2,17,18).
What are the key properties of 2-fluoro-N'-hydroxy-3-[(3-methoxycyclohexyl)oxymethyl]benzenecarboximidamide?
2-fluoro-N'-hydroxy-3-[(3-methoxycyclohexyl)oxymethyl]benzenecarboximidamide has a molecular weight of 296.34 g/mol, XLogP of 2.39, 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-3-[(3-methoxycyclohexyl)oxymethyl]benzenecarboximidamide is sourced from PubChem (CID 107117665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).