4-[(2-ethylcyclohexyl)oxymethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide

C16H23FN2O2 — CID 43185404

IUPAC4-[(2-ethylcyclohexyl)oxymethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCCC1CCCCC1OCc1ccc(/C(N)=N/O)cc1F
InChIInChI=1S/C16H23FN2O2/c1-2-11-5-3-4-6-15(11)21-10-13-8-7-12(9-14(13)17)16(18)19-20/h7-9,11,15,20H,2-6,10H2,1H3,(H2,18,19)
InChIKeyBEQVIOHWWTZXSJ-UHFFFAOYSA-N
MW294.37 g/mol
LogP3.41
Rot. Bonds5

About 4-[(2-ethylcyclohexyl)oxymethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide

4-[(2-ethylcyclohexyl)oxymethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 43185404) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 4-[(2-ethylcyclohexyl)oxymethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[(2-ethylcyclohexyl)oxymethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID43185404
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name4-[(2-ethylcyclohexyl)oxymethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCCC1CCCCC1OCc1ccc(/C(N)=N/O)cc1F
InChIInChI=1S/C16H23FN2O2/c1-2-11-5-3-4-6-15(11)21-10-13-8-7-12(9-14(13)17)16(18)19-20/h7-9,11,15,20H,2-6,10H2,1H3,(H2,18,19)
InChIKeyBEQVIOHWWTZXSJ-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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Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethylcyclohexyl)oxymethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-[(2-ethylcyclohexyl)oxymethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide (CID 43185404) is 4-[(2-ethylcyclohexyl)oxymethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-[(2-ethylcyclohexyl)oxymethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-[(2-ethylcyclohexyl)oxymethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide is CCC1CCCCC1OCc1ccc(/C(N)=N/O)cc1F.
What is the InChIKey of 4-[(2-ethylcyclohexyl)oxymethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is BEQVIOHWWTZXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-2-11-5-3-4-6-15(11)21-10-13-8-7-12(9-14(13)17)16(18)19-20/h7-9,11,15,20H,2-6,10H2,1H3,(H2,18,19).
What are the key properties of 4-[(2-ethylcyclohexyl)oxymethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide?
4-[(2-ethylcyclohexyl)oxymethyl]-3-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 4-[(2-ethylcyclohexyl)oxymethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 43185404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).