2-(2-azaspiro[5.5]undec-9-en-2-yl)-N-(2-fluorophenyl)propanamide

C19H25FN2O — CID 86952160

IUPAC2-(2-azaspiro[5.5]undec-9-en-2-yl)-N-(2-fluorophenyl)propanamide
SMILESCC(C(=O)Nc1ccccc1F)N1CCCC2(CC=CCC2)C1
InChIInChI=1S/C19H25FN2O/c1-15(18(23)21-17-9-4-3-8-16(17)20)22-13-7-12-19(14-22)10-5-2-6-11-19/h2-5,8-9,15H,6-7,10-14H2,1H3,(H,21,23)
InChIKeyNLICDOLVKWXMBR-UHFFFAOYSA-N
MW316.42 g/mol
LogP3.97
Rot. Bonds3

About 2-(2-azaspiro[5.5]undec-9-en-2-yl)-N-(2-fluorophenyl)propanamide

2-(2-azaspiro[5.5]undec-9-en-2-yl)-N-(2-fluorophenyl)propanamide (PubChem CID 86952160) has the molecular formula C19H25FN2O and a molecular weight of 316.42 g/mol. Its IUPAC name is 2-(2-azaspiro[5.5]undec-9-en-2-yl)-N-(2-fluorophenyl)propanamide.

Molecular Properties

Compound Name2-(2-azaspiro[5.5]undec-9-en-2-yl)-N-(2-fluorophenyl)propanamide
PubChem CID86952160
Molecular FormulaC19H25FN2O
Molecular Weight316.42 g/mol
Exact Mass316.20
IUPAC Name2-(2-azaspiro[5.5]undec-9-en-2-yl)-N-(2-fluorophenyl)propanamide
SMILESCC(C(=O)Nc1ccccc1F)N1CCCC2(CC=CCC2)C1
InChIInChI=1S/C19H25FN2O/c1-15(18(23)21-17-9-4-3-8-16(17)20)22-13-7-12-19(14-22)10-5-2-6-11-19/h2-5,8-9,15H,6-7,10-14H2,1H3,(H,21,23)
InChIKeyNLICDOLVKWXMBR-UHFFFAOYSA-N
XLogP3.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-azaspiro[5.5]undec-9-en-2-yl)-N-(2-fluorophenyl)propanamide?
The IUPAC name of 2-(2-azaspiro[5.5]undec-9-en-2-yl)-N-(2-fluorophenyl)propanamide (CID 86952160) is 2-(2-azaspiro[5.5]undec-9-en-2-yl)-N-(2-fluorophenyl)propanamide.
What is the SMILES notation for 2-(2-azaspiro[5.5]undec-9-en-2-yl)-N-(2-fluorophenyl)propanamide?
The canonical SMILES for 2-(2-azaspiro[5.5]undec-9-en-2-yl)-N-(2-fluorophenyl)propanamide is CC(C(=O)Nc1ccccc1F)N1CCCC2(CC=CCC2)C1.
What is the InChIKey of 2-(2-azaspiro[5.5]undec-9-en-2-yl)-N-(2-fluorophenyl)propanamide?
The InChIKey is NLICDOLVKWXMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O/c1-15(18(23)21-17-9-4-3-8-16(17)20)22-13-7-12-19(14-22)10-5-2-6-11-19/h2-5,8-9,15H,6-7,10-14H2,1H3,(H,21,23).
What are the key properties of 2-(2-azaspiro[5.5]undec-9-en-2-yl)-N-(2-fluorophenyl)propanamide?
2-(2-azaspiro[5.5]undec-9-en-2-yl)-N-(2-fluorophenyl)propanamide has a molecular weight of 316.42 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azaspiro[5.5]undec-9-en-2-yl)-N-(2-fluorophenyl)propanamide is sourced from PubChem (CID 86952160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).