2-[(3-ethylcyclohexyl)oxymethyl]-5-fluoro-N'-hydroxybenzenecarboximidamide

C16H23FN2O2 — CID 77034498

IUPAC2-[(3-ethylcyclohexyl)oxymethyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCCC1CCCC(OCc2ccc(F)cc2C(N)=NO)C1
InChIInChI=1S/C16H23FN2O2/c1-2-11-4-3-5-14(8-11)21-10-12-6-7-13(17)9-15(12)16(18)19-20/h6-7,9,11,14,20H,2-5,8,10H2,1H3,(H2,18,19)
InChIKeyUVVALGVJNOAUEQ-UHFFFAOYSA-N
MW294.37 g/mol
LogP3.41
Rot. Bonds5

About 2-[(3-ethylcyclohexyl)oxymethyl]-5-fluoro-N'-hydroxybenzenecarboximidamide

2-[(3-ethylcyclohexyl)oxymethyl]-5-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 77034498) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 2-[(3-ethylcyclohexyl)oxymethyl]-5-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-[(3-ethylcyclohexyl)oxymethyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID77034498
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name2-[(3-ethylcyclohexyl)oxymethyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCCC1CCCC(OCc2ccc(F)cc2C(N)=NO)C1
InChIInChI=1S/C16H23FN2O2/c1-2-11-4-3-5-14(8-11)21-10-12-6-7-13(17)9-15(12)16(18)19-20/h6-7,9,11,14,20H,2-5,8,10H2,1H3,(H2,18,19)
InChIKeyUVVALGVJNOAUEQ-UHFFFAOYSA-N
XLogP3.41
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 53.41
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

2-(2-cyclopropylethoxymethyl)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 114157515
2-(3-ethylcyclohexyl)oxy-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 77034372
2-cycloheptyloxy-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 55233502
2-fluoro-N'-hydroxy-3-[(3-methoxycyclohexyl)oxymethyl]benzenecarboximidamide
CID 107117665
2-(cycloheptyloxymethyl)-5-fluorobenzenecarbothioamide
CID 63290600
5-fluoro-N'-hydroxy-2-(2-methylpropoxymethyl)benzenecarboximidamide
CID 55171941
5-[(3-ethylcyclohexyl)oxymethyl]-2-fluorobenzenecarbothioamide
CID 107879915
2-[(3,4-dimethylcyclohexyl)oxymethyl]-5-fluorobenzenecarbothioamide
CID 64744378
3-[(3-ethylcyclohexyl)oxymethyl]-2-fluorobenzenecarboximidamide
CID 107118212
5-fluoro-N'-hydroxy-2-(2-methoxyethoxymethyl)benzenecarboximidamide
CID 76994379
1-bromo-3-[(3-ethylcyclohexyl)oxymethyl]-5-fluorobenzene
CID 79701830
2-(cyclopentyloxymethyl)-5-fluorobenzenecarboximidamide
CID 63290724

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethylcyclohexyl)oxymethyl]-5-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-[(3-ethylcyclohexyl)oxymethyl]-5-fluoro-N'-hydroxybenzenecarboximidamide (CID 77034498) is 2-[(3-ethylcyclohexyl)oxymethyl]-5-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-[(3-ethylcyclohexyl)oxymethyl]-5-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-[(3-ethylcyclohexyl)oxymethyl]-5-fluoro-N'-hydroxybenzenecarboximidamide is CCC1CCCC(OCc2ccc(F)cc2C(N)=NO)C1.
What is the InChIKey of 2-[(3-ethylcyclohexyl)oxymethyl]-5-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is UVVALGVJNOAUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-2-11-4-3-5-14(8-11)21-10-12-6-7-13(17)9-15(12)16(18)19-20/h6-7,9,11,14,20H,2-5,8,10H2,1H3,(H2,18,19).
What are the key properties of 2-[(3-ethylcyclohexyl)oxymethyl]-5-fluoro-N'-hydroxybenzenecarboximidamide?
2-[(3-ethylcyclohexyl)oxymethyl]-5-fluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 294.37 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethylcyclohexyl)oxymethyl]-5-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 77034498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).