4-chloro-2-cyclohexyloxy-N'-hydroxybenzenecarboximidamide

C13H17ClN2O2 — CID 76985015

IUPAC4-chloro-2-cyclohexyloxy-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccc(Cl)cc1OC1CCCCC1
InChIInChI=1S/C13H17ClN2O2/c14-9-6-7-11(13(15)16-17)12(8-9)18-10-4-2-1-3-5-10/h6-8,10,17H,1-5H2,(H2,15,16)
InChIKeyDJWJMVWKZCJJLN-UHFFFAOYSA-N
MW268.74 g/mol
LogP3.15
Rot. Bonds3

About 4-chloro-2-cyclohexyloxy-N'-hydroxybenzenecarboximidamide

4-chloro-2-cyclohexyloxy-N'-hydroxybenzenecarboximidamide (PubChem CID 76985015) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 4-chloro-2-cyclohexyloxy-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-2-cyclohexyloxy-N'-hydroxybenzenecarboximidamide
PubChem CID76985015
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name4-chloro-2-cyclohexyloxy-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccc(Cl)cc1OC1CCCCC1
InChIInChI=1S/C13H17ClN2O2/c14-9-6-7-11(13(15)16-17)12(8-9)18-10-4-2-1-3-5-10/h6-8,10,17H,1-5H2,(H2,15,16)
InChIKeyDJWJMVWKZCJJLN-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

4-chloro-2-cyclohexyloxybenzoic acid
CID 61379499
4-chloro-N'-hydroxy-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzenecarboximidamide
CID 114323370
2-cycloheptyloxy-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 55233502
4-chloro-2-cyclobutyloxybenzoic acid
CID 63082704
5-chloro-2-cyclohexyloxybenzenecarbothioamide
CID 62493544
4-chloro-2-cyclobutyloxy-1-cyclopentyloxybenzene
CID 90887277
2-chloro-6-cyclohexyloxy-N'-hydroxybenzenecarboximidamide
CID 62496519
5-chloro-2-cyclohexyloxybenzoic acid
CID 43141867
4-chloro-N'-hydroxy-2-(methoxymethoxy)benzenecarboximidamide
CID 114323364
4-bromo-N'-hydroxy-2-(4-methylcyclohexyl)oxybenzenecarboximidamide
CID 114904230
2-bromo-6-cycloheptyloxy-N'-hydroxybenzenecarboximidamide
CID 114883493
4-chloro-1-cyclopentyloxy-2-fluorobenzene
CID 130163329

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclohexyloxy-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-chloro-2-cyclohexyloxy-N'-hydroxybenzenecarboximidamide (CID 76985015) is 4-chloro-2-cyclohexyloxy-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-chloro-2-cyclohexyloxy-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-chloro-2-cyclohexyloxy-N'-hydroxybenzenecarboximidamide is NC(=NO)c1ccc(Cl)cc1OC1CCCCC1.
What is the InChIKey of 4-chloro-2-cyclohexyloxy-N'-hydroxybenzenecarboximidamide?
The InChIKey is DJWJMVWKZCJJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c14-9-6-7-11(13(15)16-17)12(8-9)18-10-4-2-1-3-5-10/h6-8,10,17H,1-5H2,(H2,15,16).
What are the key properties of 4-chloro-2-cyclohexyloxy-N'-hydroxybenzenecarboximidamide?
4-chloro-2-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 4-chloro-2-cyclohexyloxy-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 76985015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).