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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Related Compounds

N-(2-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 46673136
(2R)-2-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propan-1-one
CID 124859177
2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 24506631
N-(2-fluorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 111543632
(2R)-N-(2-fluorophenyl)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]propanamide
CID 9322199
(2R)-N-(2-fluorophenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]propanamide
CID 30724639
N-(2-fluorophenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]propanamide
CID 42891930
(2S)-2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(2-fluorophenyl)propanamide
CID 11918816
(2S)-N-(2-fluorophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 8512483
(2R)-2-(azocan-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 9460394
(2S)-2-(2,3-dihydroindol-1-yl)-N-(2-fluorophenyl)propanamide
CID 8704291
(2S)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 30736259

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).