1-(4-chloro-3-fluorophenyl)-N'-hydroxy-2-oxo-1,9-diazaspiro[5.5]undecane-9-carboximidamide

C16H20ClFN4O2 — CID 162778365

IUPAC1-(4-chloro-3-fluorophenyl)-N'-hydroxy-2-oxo-1,9-diazaspiro[5.5]undecane-9-carboximidamide
SMILESN/C(=N\O)N1CCC2(CCCC(=O)N2c2ccc(Cl)c(F)c2)CC1
InChIInChI=1S/C16H20ClFN4O2/c17-12-4-3-11(10-13(12)18)22-14(23)2-1-5-16(22)6-8-21(9-7-16)15(19)20-24/h3-4,10,24H,1-2,5-9H2,(H2,19,20)
InChIKeyQSFQXOWYYCLNSF-UHFFFAOYSA-N
MW354.81 g/mol
LogP2.53
Rot. Bonds1

About 1-(4-chloro-3-fluorophenyl)-N'-hydroxy-2-oxo-1,9-diazaspiro[5.5]undecane-9-carboximidamide

1-(4-chloro-3-fluorophenyl)-N'-hydroxy-2-oxo-1,9-diazaspiro[5.5]undecane-9-carboximidamide (PubChem CID 162778365) has the molecular formula C16H20ClFN4O2 and a molecular weight of 354.81 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-N'-hydroxy-2-oxo-1,9-diazaspiro[5.5]undecane-9-carboximidamide.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-N'-hydroxy-2-oxo-1,9-diazaspiro[5.5]undecane-9-carboximidamide
PubChem CID162778365
Molecular FormulaC16H20ClFN4O2
Molecular Weight354.81 g/mol
Exact Mass354.13
IUPAC Name1-(4-chloro-3-fluorophenyl)-N'-hydroxy-2-oxo-1,9-diazaspiro[5.5]undecane-9-carboximidamide
SMILESN/C(=N\O)N1CCC2(CCCC(=O)N2c2ccc(Cl)c(F)c2)CC1
InChIInChI=1S/C16H20ClFN4O2/c17-12-4-3-11(10-13(12)18)22-14(23)2-1-5-16(22)6-8-21(9-7-16)15(19)20-24/h3-4,10,24H,1-2,5-9H2,(H2,19,20)
InChIKeyQSFQXOWYYCLNSF-UHFFFAOYSA-N
XLogP2.53
TPSA82.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.81
LogP ≤ 52.53
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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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-N'-hydroxy-2-oxo-1,9-diazaspiro[5.5]undecane-9-carboximidamide?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-N'-hydroxy-2-oxo-1,9-diazaspiro[5.5]undecane-9-carboximidamide (CID 162778365) is 1-(4-chloro-3-fluorophenyl)-N'-hydroxy-2-oxo-1,9-diazaspiro[5.5]undecane-9-carboximidamide.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-N'-hydroxy-2-oxo-1,9-diazaspiro[5.5]undecane-9-carboximidamide?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-N'-hydroxy-2-oxo-1,9-diazaspiro[5.5]undecane-9-carboximidamide is N/C(=N\O)N1CCC2(CCCC(=O)N2c2ccc(Cl)c(F)c2)CC1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-N'-hydroxy-2-oxo-1,9-diazaspiro[5.5]undecane-9-carboximidamide?
The InChIKey is QSFQXOWYYCLNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClFN4O2/c17-12-4-3-11(10-13(12)18)22-14(23)2-1-5-16(22)6-8-21(9-7-16)15(19)20-24/h3-4,10,24H,1-2,5-9H2,(H2,19,20).
What are the key properties of 1-(4-chloro-3-fluorophenyl)-N'-hydroxy-2-oxo-1,9-diazaspiro[5.5]undecane-9-carboximidamide?
1-(4-chloro-3-fluorophenyl)-N'-hydroxy-2-oxo-1,9-diazaspiro[5.5]undecane-9-carboximidamide has a molecular weight of 354.81 g/mol, XLogP of 2.53, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-N'-hydroxy-2-oxo-1,9-diazaspiro[5.5]undecane-9-carboximidamide is sourced from PubChem (CID 162778365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).