2-[2-(3-fluorophenyl)acetyl]-N-methyl-2-azaspiro[4.4]nonane-4-carboxamide

C18H23FN2O2 — CID 71836670

IUPAC2-[2-(3-fluorophenyl)acetyl]-N-methyl-2-azaspiro[4.4]nonane-4-carboxamide
SMILESCNC(=O)C1CN(C(=O)Cc2cccc(F)c2)CC12CCCC2
InChIInChI=1S/C18H23FN2O2/c1-20-17(23)15-11-21(12-18(15)7-2-3-8-18)16(22)10-13-5-4-6-14(19)9-13/h4-6,9,15H,2-3,7-8,10-12H2,1H3,(H,20,23)
InChIKeyAWUHPQZCWXEGSO-UHFFFAOYSA-N
MW318.39 g/mol
LogP2.13
Rot. Bonds3

About 2-[2-(3-fluorophenyl)acetyl]-N-methyl-2-azaspiro[4.4]nonane-4-carboxamide

2-[2-(3-fluorophenyl)acetyl]-N-methyl-2-azaspiro[4.4]nonane-4-carboxamide (PubChem CID 71836670) has the molecular formula C18H23FN2O2 and a molecular weight of 318.39 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)acetyl]-N-methyl-2-azaspiro[4.4]nonane-4-carboxamide.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)acetyl]-N-methyl-2-azaspiro[4.4]nonane-4-carboxamide
PubChem CID71836670
Molecular FormulaC18H23FN2O2
Molecular Weight318.39 g/mol
Exact Mass318.17
IUPAC Name2-[2-(3-fluorophenyl)acetyl]-N-methyl-2-azaspiro[4.4]nonane-4-carboxamide
SMILESCNC(=O)C1CN(C(=O)Cc2cccc(F)c2)CC12CCCC2
InChIInChI=1S/C18H23FN2O2/c1-20-17(23)15-11-21(12-18(15)7-2-3-8-18)16(22)10-13-5-4-6-14(19)9-13/h4-6,9,15H,2-3,7-8,10-12H2,1H3,(H,20,23)
InChIKeyAWUHPQZCWXEGSO-UHFFFAOYSA-N
XLogP2.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenyl)acetyl]-N-methyl-2-azaspiro[4.4]nonane-4-carboxamide?
The IUPAC name of 2-[2-(3-fluorophenyl)acetyl]-N-methyl-2-azaspiro[4.4]nonane-4-carboxamide (CID 71836670) is 2-[2-(3-fluorophenyl)acetyl]-N-methyl-2-azaspiro[4.4]nonane-4-carboxamide.
What is the SMILES notation for 2-[2-(3-fluorophenyl)acetyl]-N-methyl-2-azaspiro[4.4]nonane-4-carboxamide?
The canonical SMILES for 2-[2-(3-fluorophenyl)acetyl]-N-methyl-2-azaspiro[4.4]nonane-4-carboxamide is CNC(=O)C1CN(C(=O)Cc2cccc(F)c2)CC12CCCC2.
What is the InChIKey of 2-[2-(3-fluorophenyl)acetyl]-N-methyl-2-azaspiro[4.4]nonane-4-carboxamide?
The InChIKey is AWUHPQZCWXEGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O2/c1-20-17(23)15-11-21(12-18(15)7-2-3-8-18)16(22)10-13-5-4-6-14(19)9-13/h4-6,9,15H,2-3,7-8,10-12H2,1H3,(H,20,23).
What are the key properties of 2-[2-(3-fluorophenyl)acetyl]-N-methyl-2-azaspiro[4.4]nonane-4-carboxamide?
2-[2-(3-fluorophenyl)acetyl]-N-methyl-2-azaspiro[4.4]nonane-4-carboxamide has a molecular weight of 318.39 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)acetyl]-N-methyl-2-azaspiro[4.4]nonane-4-carboxamide is sourced from PubChem (CID 71836670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).