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

C15H21FN2O2 — CID 24692373

IUPAC3-fluoro-N'-hydroxy-4-[(4-methylcyclohexyl)oxymethyl]benzenecarboximidamide
SMILESCC1CCC(OCc2ccc(/C(N)=N/O)cc2F)CC1
InChIInChI=1S/C15H21FN2O2/c1-10-2-6-13(7-3-10)20-9-12-5-4-11(8-14(12)16)15(17)18-19/h4-5,8,10,13,19H,2-3,6-7,9H2,1H3,(H2,17,18)
InChIKeySGLJHZDMBROFRF-UHFFFAOYSA-N
MW280.34 g/mol
LogP3.02
Rot. Bonds4

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

3-fluoro-N'-hydroxy-4-[(4-methylcyclohexyl)oxymethyl]benzenecarboximidamide (PubChem CID 24692373) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 3-fluoro-N'-hydroxy-4-[(4-methylcyclohexyl)oxymethyl]benzenecarboximidamide.

Molecular Properties

Compound Name3-fluoro-N'-hydroxy-4-[(4-methylcyclohexyl)oxymethyl]benzenecarboximidamide
PubChem CID24692373
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name3-fluoro-N'-hydroxy-4-[(4-methylcyclohexyl)oxymethyl]benzenecarboximidamide
SMILESCC1CCC(OCc2ccc(/C(N)=N/O)cc2F)CC1
InChIInChI=1S/C15H21FN2O2/c1-10-2-6-13(7-3-10)20-9-12-5-4-11(8-14(12)16)15(17)18-19/h4-5,8,10,13,19H,2-3,6-7,9H2,1H3,(H2,17,18)
InChIKeySGLJHZDMBROFRF-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

3-fluoro-N'-hydroxy-4-(2,2,2-trifluoroethoxymethyl)benzenecarboximidamide
CID 24708972
4-(2,2-difluoroethoxymethyl)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 82005290
3-fluoro-N'-hydroxy-4-(2-methylpentoxymethyl)benzenecarboximidamide
CID 103283920
3-fluoro-N'-hydroxy-4-(3,3,3-trifluoropropoxymethyl)benzenecarboximidamide
CID 82955096
4-[(cyclopropylmethylamino)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 77026658
4-[(3,5-dimethylphenoxy)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43185385
3-fluoro-N'-hydroxy-4-(2-methylbutan-2-yloxymethyl)benzenecarboximidamide
CID 43128405
3-fluoro-N'-hydroxy-4-(hydroxymethyl)benzenecarboximidamide
CID 50941129
3-fluoro-N'-hydroxy-4-[[methyl-(3-methylcyclohexyl)amino]methyl]benzenecarboximidamide
CID 76904288
3-fluoro-N'-hydroxy-4-(phenoxymethyl)benzenecarboximidamide
CID 24708255
3-fluoro-4-(oxan-4-yloxymethyl)benzenecarbothioamide
CID 61287587
4-[(cyclopentylmethylamino)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 77030237

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N'-hydroxy-4-[(4-methylcyclohexyl)oxymethyl]benzenecarboximidamide?
The IUPAC name of 3-fluoro-N'-hydroxy-4-[(4-methylcyclohexyl)oxymethyl]benzenecarboximidamide (CID 24692373) is 3-fluoro-N'-hydroxy-4-[(4-methylcyclohexyl)oxymethyl]benzenecarboximidamide.
What is the SMILES notation for 3-fluoro-N'-hydroxy-4-[(4-methylcyclohexyl)oxymethyl]benzenecarboximidamide?
The canonical SMILES for 3-fluoro-N'-hydroxy-4-[(4-methylcyclohexyl)oxymethyl]benzenecarboximidamide is CC1CCC(OCc2ccc(/C(N)=N/O)cc2F)CC1.
What is the InChIKey of 3-fluoro-N'-hydroxy-4-[(4-methylcyclohexyl)oxymethyl]benzenecarboximidamide?
The InChIKey is SGLJHZDMBROFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-10-2-6-13(7-3-10)20-9-12-5-4-11(8-14(12)16)15(17)18-19/h4-5,8,10,13,19H,2-3,6-7,9H2,1H3,(H2,17,18).
What are the key properties of 3-fluoro-N'-hydroxy-4-[(4-methylcyclohexyl)oxymethyl]benzenecarboximidamide?
3-fluoro-N'-hydroxy-4-[(4-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-[(4-methylcyclohexyl)oxymethyl]benzenecarboximidamide is sourced from PubChem (CID 24692373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).