N-(5-azaspiro[3.5]nonan-8-yl)-N'-(4-chloro-3-fluorophenyl)oxamide

C16H19ClFN3O2 — CID 46200686

IUPACN-(5-azaspiro[3.5]nonan-8-yl)-N'-(4-chloro-3-fluorophenyl)oxamide
SMILESO=C(Nc1ccc(Cl)c(F)c1)C(=O)NC1CCNC2(CCC2)C1
InChIInChI=1S/C16H19ClFN3O2/c17-12-3-2-10(8-13(12)18)20-14(22)15(23)21-11-4-7-19-16(9-11)5-1-6-16/h2-3,8,11,19H,1,4-7,9H2,(H,20,22)(H,21,23)
InChIKeyJSEOESVFYKWYEF-UHFFFAOYSA-N
MW339.80 g/mol
LogP2.21
Rot. Bonds2

About N-(5-azaspiro[3.5]nonan-8-yl)-N'-(4-chloro-3-fluorophenyl)oxamide

N-(5-azaspiro[3.5]nonan-8-yl)-N'-(4-chloro-3-fluorophenyl)oxamide (PubChem CID 46200686) has the molecular formula C16H19ClFN3O2 and a molecular weight of 339.80 g/mol. Its IUPAC name is N-(5-azaspiro[3.5]nonan-8-yl)-N'-(4-chloro-3-fluorophenyl)oxamide.

Molecular Properties

Compound NameN-(5-azaspiro[3.5]nonan-8-yl)-N'-(4-chloro-3-fluorophenyl)oxamide
PubChem CID46200686
Molecular FormulaC16H19ClFN3O2
Molecular Weight339.80 g/mol
Exact Mass339.11
IUPAC NameN-(5-azaspiro[3.5]nonan-8-yl)-N'-(4-chloro-3-fluorophenyl)oxamide
SMILESO=C(Nc1ccc(Cl)c(F)c1)C(=O)NC1CCNC2(CCC2)C1
InChIInChI=1S/C16H19ClFN3O2/c17-12-3-2-10(8-13(12)18)20-14(22)15(23)21-11-4-7-19-16(9-11)5-1-6-16/h2-3,8,11,19H,1,4-7,9H2,(H,20,22)(H,21,23)
InChIKeyJSEOESVFYKWYEF-UHFFFAOYSA-N
XLogP2.21
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-azaspiro[3.5]nonan-8-yl)-N'-(4-chloro-3-fluorophenyl)oxamide?
The IUPAC name of N-(5-azaspiro[3.5]nonan-8-yl)-N'-(4-chloro-3-fluorophenyl)oxamide (CID 46200686) is N-(5-azaspiro[3.5]nonan-8-yl)-N'-(4-chloro-3-fluorophenyl)oxamide.
What is the SMILES notation for N-(5-azaspiro[3.5]nonan-8-yl)-N'-(4-chloro-3-fluorophenyl)oxamide?
The canonical SMILES for N-(5-azaspiro[3.5]nonan-8-yl)-N'-(4-chloro-3-fluorophenyl)oxamide is O=C(Nc1ccc(Cl)c(F)c1)C(=O)NC1CCNC2(CCC2)C1.
What is the InChIKey of N-(5-azaspiro[3.5]nonan-8-yl)-N'-(4-chloro-3-fluorophenyl)oxamide?
The InChIKey is JSEOESVFYKWYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFN3O2/c17-12-3-2-10(8-13(12)18)20-14(22)15(23)21-11-4-7-19-16(9-11)5-1-6-16/h2-3,8,11,19H,1,4-7,9H2,(H,20,22)(H,21,23).
What are the key properties of N-(5-azaspiro[3.5]nonan-8-yl)-N'-(4-chloro-3-fluorophenyl)oxamide?
N-(5-azaspiro[3.5]nonan-8-yl)-N'-(4-chloro-3-fluorophenyl)oxamide has a molecular weight of 339.80 g/mol, XLogP of 2.21, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-azaspiro[3.5]nonan-8-yl)-N'-(4-chloro-3-fluorophenyl)oxamide is sourced from PubChem (CID 46200686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).