4-chloro-N'-hydroxy-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzenecarboximidamide

C15H19ClN2O3 — CID 114323370

IUPAC4-chloro-N'-hydroxy-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzenecarboximidamide
SMILESN/C(=N/O)c1ccc(Cl)cc1OC1CCOC2(CCC2)C1
InChIInChI=1S/C15H19ClN2O3/c16-10-2-3-12(14(17)18-19)13(8-10)21-11-4-7-20-15(9-11)5-1-6-15/h2-3,8,11,19H,1,4-7,9H2,(H2,17,18)
InChIKeyAFGXRTPQBSXBAO-UHFFFAOYSA-N
MW310.78 g/mol
LogP2.91
Rot. Bonds3

About 4-chloro-N'-hydroxy-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzenecarboximidamide

4-chloro-N'-hydroxy-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzenecarboximidamide (PubChem CID 114323370) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is 4-chloro-N'-hydroxy-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-N'-hydroxy-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzenecarboximidamide
PubChem CID114323370
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name4-chloro-N'-hydroxy-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzenecarboximidamide
SMILESN/C(=N/O)c1ccc(Cl)cc1OC1CCOC2(CCC2)C1
InChIInChI=1S/C15H19ClN2O3/c16-10-2-3-12(14(17)18-19)13(8-10)21-11-4-7-20-15(9-11)5-1-6-15/h2-3,8,11,19H,1,4-7,9H2,(H2,17,18)
InChIKeyAFGXRTPQBSXBAO-UHFFFAOYSA-N
XLogP2.91
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(5-oxaspiro[3.5]nonan-8-yloxy)benzenecarboximidamide
CID 114323579
8-(5-chloro-2-methylphenoxy)-5-oxaspiro[3.5]nonane
CID 79923323
4-chloro-2-cyclohexyloxy-N'-hydroxybenzenecarboximidamide
CID 76985015
2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-N'-hydroxybenzenecarboximidamide
CID 79902453
4-chloro-2-(2,6-dioxaspiro[4.5]decan-9-yloxy)benzoic acid
CID 79898959
2-[5-chloro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine
CID 79908194
(1R)-1-[5-chloro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine
CID 79900456
(1R)-1-[5-chloro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanol
CID 79899374
2-(5-oxaspiro[3.5]nonan-8-yloxy)benzenecarbothioamide
CID 79905444
8-(4-chloro-3-fluorophenoxy)-5-oxaspiro[3.5]nonane
CID 82727190
9-(2-fluoro-5-methylphenoxy)-6-oxaspiro[4.5]decane
CID 79923322
5-bromo-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzoic acid
CID 79905392

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-hydroxy-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzenecarboximidamide?
The IUPAC name of 4-chloro-N'-hydroxy-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzenecarboximidamide (CID 114323370) is 4-chloro-N'-hydroxy-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzenecarboximidamide.
What is the SMILES notation for 4-chloro-N'-hydroxy-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzenecarboximidamide?
The canonical SMILES for 4-chloro-N'-hydroxy-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzenecarboximidamide is N/C(=N/O)c1ccc(Cl)cc1OC1CCOC2(CCC2)C1.
What is the InChIKey of 4-chloro-N'-hydroxy-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzenecarboximidamide?
The InChIKey is AFGXRTPQBSXBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c16-10-2-3-12(14(17)18-19)13(8-10)21-11-4-7-20-15(9-11)5-1-6-15/h2-3,8,11,19H,1,4-7,9H2,(H2,17,18).
What are the key properties of 4-chloro-N'-hydroxy-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzenecarboximidamide?
4-chloro-N'-hydroxy-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzenecarboximidamide has a molecular weight of 310.78 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-hydroxy-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzenecarboximidamide is sourced from PubChem (CID 114323370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).