3-fluoro-N'-hydroxy-4-[(2-methylcyclohexyl)oxymethyl]benzenecarboximidamide

C15H21FN2O2 — CID 24690688

IUPAC3-fluoro-N'-hydroxy-4-[(2-methylcyclohexyl)oxymethyl]benzenecarboximidamide
SMILESCC1CCCCC1OCc1ccc(/C(N)=N/O)cc1F
InChIInChI=1S/C15H21FN2O2/c1-10-4-2-3-5-14(10)20-9-12-7-6-11(8-13(12)16)15(17)18-19/h6-8,10,14,19H,2-5,9H2,1H3,(H2,17,18)
InChIKeyVGGIGGUDVRUTFV-UHFFFAOYSA-N
MW280.34 g/mol
LogP3.02
Rot. Bonds4

About 3-fluoro-N'-hydroxy-4-[(2-methylcyclohexyl)oxymethyl]benzenecarboximidamide

3-fluoro-N'-hydroxy-4-[(2-methylcyclohexyl)oxymethyl]benzenecarboximidamide (PubChem CID 24690688) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 3-fluoro-N'-hydroxy-4-[(2-methylcyclohexyl)oxymethyl]benzenecarboximidamide.

Molecular Properties

Compound Name3-fluoro-N'-hydroxy-4-[(2-methylcyclohexyl)oxymethyl]benzenecarboximidamide
PubChem CID24690688
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name3-fluoro-N'-hydroxy-4-[(2-methylcyclohexyl)oxymethyl]benzenecarboximidamide
SMILESCC1CCCCC1OCc1ccc(/C(N)=N/O)cc1F
InChIInChI=1S/C15H21FN2O2/c1-10-4-2-3-5-14(10)20-9-12-7-6-11(8-13(12)16)15(17)18-19/h6-8,10,14,19H,2-5,9H2,1H3,(H2,17,18)
InChIKeyVGGIGGUDVRUTFV-UHFFFAOYSA-N
XLogP3.02
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 53.02
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-((Benzyloxy)methyl)benzene-1-carboximidamide hydrochloride
CID 47002447
3-fluoro-N'-hydroxy-4-(hydroxymethyl)benzenecarboximidamide
CID 43165095
3-fluoro-N'-hydroxy-4-(hydroxymethyl)benzimidamide
CID 50941129
4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]-N'-hydroxybenzenecarboximidamide
CID 59155285
3-fluoro-N'-hydroxy-4-(hydroxymethyl)benzenecarboximidamide
CID 74865047
2-Fluoro-N'-hydroxy-4-(hydroxymethyl)benzenecarboximidamide
CID 86762396
CID 87371662
CID 87371662
tert-butyl N-[[4-[(E)-N'-[(4-fluorophenyl)methoxy]carbamimidoyl]phenyl]methoxycarbonyl]carbamate
CID 88021982
3-fluoro-4-(3-hydroxybut-3-enyl)-N'-[1-[3-(methoxymethyl)-4-(2-methylphenyl)cyclohexa-2,4-dien-1-yl]ethenoxy]benzenecarboximidamide
CID 89191600
CID 90091993
CID 90091993
2-fluoro-N'-hydroxy-4-[(R)-hydroxy-[(1R,6S)-2,2,6-trimethylcyclohexyl]methyl]benzenecarboximidamide
CID 90123826
4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]-N'-hydroxybenzenecarboximidamide
CID 90861352

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N'-hydroxy-4-[(2-methylcyclohexyl)oxymethyl]benzenecarboximidamide?
The IUPAC name of 3-fluoro-N'-hydroxy-4-[(2-methylcyclohexyl)oxymethyl]benzenecarboximidamide (CID 24690688) is 3-fluoro-N'-hydroxy-4-[(2-methylcyclohexyl)oxymethyl]benzenecarboximidamide.
What is the SMILES notation for 3-fluoro-N'-hydroxy-4-[(2-methylcyclohexyl)oxymethyl]benzenecarboximidamide?
The canonical SMILES for 3-fluoro-N'-hydroxy-4-[(2-methylcyclohexyl)oxymethyl]benzenecarboximidamide is CC1CCCCC1OCc1ccc(/C(N)=N/O)cc1F.
What is the InChIKey of 3-fluoro-N'-hydroxy-4-[(2-methylcyclohexyl)oxymethyl]benzenecarboximidamide?
The InChIKey is VGGIGGUDVRUTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-10-4-2-3-5-14(10)20-9-12-7-6-11(8-13(12)16)15(17)18-19/h6-8,10,14,19H,2-5,9H2,1H3,(H2,17,18).
What are the key properties of 3-fluoro-N'-hydroxy-4-[(2-methylcyclohexyl)oxymethyl]benzenecarboximidamide?
3-fluoro-N'-hydroxy-4-[(2-methylcyclohexyl)oxymethyl]benzenecarboximidamide has a molecular weight of 280.34 g/mol, XLogP of 3.02, 4 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-methylcyclohexyl)oxymethyl]benzenecarboximidamide is sourced from PubChem (CID 24690688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).