2-(2-ethylcyclohexyl)oxy-6-fluoro-N'-hydroxybenzenecarboximidamide

C15H21FN2O2 — CID 77008777

IUPAC2-(2-ethylcyclohexyl)oxy-6-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCCC1CCCCC1Oc1cccc(F)c1C(N)=NO
InChIInChI=1S/C15H21FN2O2/c1-2-10-6-3-4-8-12(10)20-13-9-5-7-11(16)14(13)15(17)18-19/h5,7,9-10,12,19H,2-4,6,8H2,1H3,(H2,17,18)
InChIKeyZRWJVSHNLVYIGR-UHFFFAOYSA-N
MW280.34 g/mol
LogP3.27
Rot. Bonds4

About 2-(2-ethylcyclohexyl)oxy-6-fluoro-N'-hydroxybenzenecarboximidamide

2-(2-ethylcyclohexyl)oxy-6-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 77008777) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 2-(2-ethylcyclohexyl)oxy-6-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-(2-ethylcyclohexyl)oxy-6-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID77008777
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name2-(2-ethylcyclohexyl)oxy-6-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCCC1CCCCC1Oc1cccc(F)c1C(N)=NO
InChIInChI=1S/C15H21FN2O2/c1-2-10-6-3-4-8-12(10)20-13-9-5-7-11(16)14(13)15(17)18-19/h5,7,9-10,12,19H,2-4,6,8H2,1H3,(H2,17,18)
InChIKeyZRWJVSHNLVYIGR-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
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'}

Analyze 2-(2-ethylcyclohexyl)oxy-6-fluoro-N'-hydroxybenzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-ethylcyclohexyl)oxy-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 77034372
2-bromo-4-(2-ethylcyclohexyl)oxy-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 107536138
N-[4-(2-ethylcyclohexyl)oxy-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 77008800
1-(chloromethyl)-2-(2-ethylcyclohexyl)oxy-3-fluorobenzene
CID 112613680
3-(2-ethylcyclohexyl)oxy-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide
CID 136924889
2-fluoro-N'-hydroxy-6-propan-2-yloxybenzenecarboximidamide
CID 74881969
2-bromo-6-cycloheptyloxy-N'-hydroxybenzenecarboximidamide
CID 114883493
4-(2-ethylcyclohexyl)oxy-N'-hydroxy-3,5-dimethylbenzenecarboximidamide
CID 77068944
N-[[2-(2-ethylcyclohexyl)oxy-3-fluorophenyl]methyl]ethanamine
CID 115953347
2,6-difluoro-N'-hydroxybenzenecarboximidamide
CID 3492978
2-(2-ethylcyclohexyl)oxy-4-fluorobenzoic acid
CID 107014244
4-(2-ethylcyclohexyl)oxy-3-fluorobenzenecarboximidamide
CID 43658441

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylcyclohexyl)oxy-6-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-(2-ethylcyclohexyl)oxy-6-fluoro-N'-hydroxybenzenecarboximidamide (CID 77008777) is 2-(2-ethylcyclohexyl)oxy-6-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-(2-ethylcyclohexyl)oxy-6-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-(2-ethylcyclohexyl)oxy-6-fluoro-N'-hydroxybenzenecarboximidamide is CCC1CCCCC1Oc1cccc(F)c1C(N)=NO.
What is the InChIKey of 2-(2-ethylcyclohexyl)oxy-6-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is ZRWJVSHNLVYIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-2-10-6-3-4-8-12(10)20-13-9-5-7-11(16)14(13)15(17)18-19/h5,7,9-10,12,19H,2-4,6,8H2,1H3,(H2,17,18).
What are the key properties of 2-(2-ethylcyclohexyl)oxy-6-fluoro-N'-hydroxybenzenecarboximidamide?
2-(2-ethylcyclohexyl)oxy-6-fluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 280.34 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylcyclohexyl)oxy-6-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 77008777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).