2-chloro-6-cyclohexyloxy-N'-hydroxybenzenecarboximidamide

C13H17ClN2O2 — CID 62496519

IUPAC2-chloro-6-cyclohexyloxy-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1c(Cl)cccc1OC1CCCCC1
InChIInChI=1S/C13H17ClN2O2/c14-10-7-4-8-11(12(10)13(15)16-17)18-9-5-2-1-3-6-9/h4,7-9,17H,1-3,5-6H2,(H2,15,16)
InChIKeyRCHCQIYCKHYAML-UHFFFAOYSA-N
MW268.74 g/mol
LogP3.15
Rot. Bonds3

About 2-chloro-6-cyclohexyloxy-N'-hydroxybenzenecarboximidamide

2-chloro-6-cyclohexyloxy-N'-hydroxybenzenecarboximidamide (PubChem CID 62496519) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 2-chloro-6-cyclohexyloxy-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-6-cyclohexyloxy-N'-hydroxybenzenecarboximidamide
PubChem CID62496519
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name2-chloro-6-cyclohexyloxy-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1c(Cl)cccc1OC1CCCCC1
InChIInChI=1S/C13H17ClN2O2/c14-10-7-4-8-11(12(10)13(15)16-17)18-9-5-2-1-3-6-9/h4,7-9,17H,1-3,5-6H2,(H2,15,16)
InChIKeyRCHCQIYCKHYAML-UHFFFAOYSA-N
XLogP3.15
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 53.15
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-chloro-N'-hydroxy-6-(oxan-4-yloxy)benzenecarboximidamide
CID 76945209
2-bromo-6-cycloheptyloxy-N'-hydroxybenzenecarboximidamide
CID 114883493
2-chloro-N'-hydroxy-6-(oxolan-3-yloxy)benzenecarboximidamide
CID 55213919
2-chloro-6-ethoxy-N'-hydroxybenzenecarboximidamide
CID 76945151
4-chloro-2-cyclohexyloxy-N'-hydroxybenzenecarboximidamide
CID 76985015
2-chloro-N'-hydroxy-6-(2-methylphenoxy)benzenecarboximidamide
CID 76945119
2-(3-ethylcyclohexyl)oxy-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 77034372
2-butoxy-6-chloro-N'-hydroxybenzenecarboximidamide
CID 76945137
1,2-dichloro-3-cyclobutyloxybenzene
CID 130038402
1-(2-chloro-6-cyclopropyloxyphenyl)ethanone
CID 144572447
2-cycloheptyloxy-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 55233502
4-cyclobutyloxy-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
CID 81054177

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-cyclohexyloxy-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-chloro-6-cyclohexyloxy-N'-hydroxybenzenecarboximidamide (CID 62496519) is 2-chloro-6-cyclohexyloxy-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-chloro-6-cyclohexyloxy-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-chloro-6-cyclohexyloxy-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1c(Cl)cccc1OC1CCCCC1.
What is the InChIKey of 2-chloro-6-cyclohexyloxy-N'-hydroxybenzenecarboximidamide?
The InChIKey is RCHCQIYCKHYAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c14-10-7-4-8-11(12(10)13(15)16-17)18-9-5-2-1-3-6-9/h4,7-9,17H,1-3,5-6H2,(H2,15,16).
What are the key properties of 2-chloro-6-cyclohexyloxy-N'-hydroxybenzenecarboximidamide?
2-chloro-6-cyclohexyloxy-N'-hydroxybenzenecarboximidamide has a molecular weight of 268.74 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-cyclohexyloxy-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 62496519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).