3-chloro-4-(3,5-dimethylcyclohexyl)oxy-N'-hydroxybenzenecarboximidamide

C15H21ClN2O2 — CID 77054310

IUPAC3-chloro-4-(3,5-dimethylcyclohexyl)oxy-N'-hydroxybenzenecarboximidamide
SMILESCC1CC(C)CC(Oc2ccc(C(N)=NO)cc2Cl)C1
InChIInChI=1S/C15H21ClN2O2/c1-9-5-10(2)7-12(6-9)20-14-4-3-11(8-13(14)16)15(17)18-19/h3-4,8-10,12,19H,5-7H2,1-2H3,(H2,17,18)
InChIKeyMNWQJGVQMKGMOA-UHFFFAOYSA-N
MW296.80 g/mol
LogP3.64
Rot. Bonds3

About 3-chloro-4-(3,5-dimethylcyclohexyl)oxy-N'-hydroxybenzenecarboximidamide

3-chloro-4-(3,5-dimethylcyclohexyl)oxy-N'-hydroxybenzenecarboximidamide (PubChem CID 77054310) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 3-chloro-4-(3,5-dimethylcyclohexyl)oxy-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-chloro-4-(3,5-dimethylcyclohexyl)oxy-N'-hydroxybenzenecarboximidamide
PubChem CID77054310
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name3-chloro-4-(3,5-dimethylcyclohexyl)oxy-N'-hydroxybenzenecarboximidamide
SMILESCC1CC(C)CC(Oc2ccc(C(N)=NO)cc2Cl)C1
InChIInChI=1S/C15H21ClN2O2/c1-9-5-10(2)7-12(6-9)20-14-4-3-11(8-13(14)16)15(17)18-19/h3-4,8-10,12,19H,5-7H2,1-2H3,(H2,17,18)
InChIKeyMNWQJGVQMKGMOA-UHFFFAOYSA-N
XLogP3.64
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 53.64
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

3-chloro-N'-hydroxy-4-(3,3,5-trimethylcyclohexyl)oxybenzenecarboximidamide
CID 76997828
3-chloro-N'-hydroxy-4-propan-2-yloxybenzenecarboximidamide
CID 59556565
4-cyclobutyloxy-N'-hydroxy-3-methylbenzenecarboximidamide
CID 76936695
3-chloro-4-(cyclobutylmethoxy)-N'-hydroxybenzenecarboximidamide
CID 77067797
3-chloro-4-(3,4-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 76984195
4-(3,5-dimethylcyclohexyl)oxy-3-methoxybenzenecarbothioamide
CID 64737082
3-chloro-N'-hydroxy-4-(2-methylbutan-2-yloxy)benzenecarboximidamide
CID 76984471
3-bromo-4-cyclobutyloxy-N'-hydroxybenzenecarboximidamide
CID 82800147
N'-hydroxy-4-(4-methylcyclohexyl)oxybenzenecarboximidamide
CID 43188242
3-chloro-4-(3,3,5-trimethylcyclohexyl)oxybenzoic acid
CID 63514188
3-chloro-N'-hydroxy-4-(2,3,5-trimethylpiperidin-1-yl)benzenecarboximidamide
CID 114593469
3-chloro-4-[(4-ethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 76929913

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(3,5-dimethylcyclohexyl)oxy-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3-chloro-4-(3,5-dimethylcyclohexyl)oxy-N'-hydroxybenzenecarboximidamide (CID 77054310) is 3-chloro-4-(3,5-dimethylcyclohexyl)oxy-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-chloro-4-(3,5-dimethylcyclohexyl)oxy-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-chloro-4-(3,5-dimethylcyclohexyl)oxy-N'-hydroxybenzenecarboximidamide is CC1CC(C)CC(Oc2ccc(C(N)=NO)cc2Cl)C1.
What is the InChIKey of 3-chloro-4-(3,5-dimethylcyclohexyl)oxy-N'-hydroxybenzenecarboximidamide?
The InChIKey is MNWQJGVQMKGMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-9-5-10(2)7-12(6-9)20-14-4-3-11(8-13(14)16)15(17)18-19/h3-4,8-10,12,19H,5-7H2,1-2H3,(H2,17,18).
What are the key properties of 3-chloro-4-(3,5-dimethylcyclohexyl)oxy-N'-hydroxybenzenecarboximidamide?
3-chloro-4-(3,5-dimethylcyclohexyl)oxy-N'-hydroxybenzenecarboximidamide has a molecular weight of 296.80 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(3,5-dimethylcyclohexyl)oxy-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 77054310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).