2-[2-(2-chloro-6-fluorophenyl)acetyl]-N-methyl-2-azaspiro[4.4]nonane-4-carboxamide

C18H22ClFN2O2 — CID 71836668

IUPAC2-[2-(2-chloro-6-fluorophenyl)acetyl]-N-methyl-2-azaspiro[4.4]nonane-4-carboxamide
SMILESCNC(=O)C1CN(C(=O)Cc2c(F)cccc2Cl)CC12CCCC2
InChIInChI=1S/C18H22ClFN2O2/c1-21-17(24)13-10-22(11-18(13)7-2-3-8-18)16(23)9-12-14(19)5-4-6-15(12)20/h4-6,13H,2-3,7-11H2,1H3,(H,21,24)
InChIKeyVPXOVTDZSVADLL-UHFFFAOYSA-N
MW352.84 g/mol
LogP2.79
Rot. Bonds3

About 2-[2-(2-chloro-6-fluorophenyl)acetyl]-N-methyl-2-azaspiro[4.4]nonane-4-carboxamide

2-[2-(2-chloro-6-fluorophenyl)acetyl]-N-methyl-2-azaspiro[4.4]nonane-4-carboxamide (PubChem CID 71836668) has the molecular formula C18H22ClFN2O2 and a molecular weight of 352.84 g/mol. Its IUPAC name is 2-[2-(2-chloro-6-fluorophenyl)acetyl]-N-methyl-2-azaspiro[4.4]nonane-4-carboxamide.

Molecular Properties

Compound Name2-[2-(2-chloro-6-fluorophenyl)acetyl]-N-methyl-2-azaspiro[4.4]nonane-4-carboxamide
PubChem CID71836668
Molecular FormulaC18H22ClFN2O2
Molecular Weight352.84 g/mol
Exact Mass352.14
IUPAC Name2-[2-(2-chloro-6-fluorophenyl)acetyl]-N-methyl-2-azaspiro[4.4]nonane-4-carboxamide
SMILESCNC(=O)C1CN(C(=O)Cc2c(F)cccc2Cl)CC12CCCC2
InChIInChI=1S/C18H22ClFN2O2/c1-21-17(24)13-10-22(11-18(13)7-2-3-8-18)16(23)9-12-14(19)5-4-6-15(12)20/h4-6,13H,2-3,7-11H2,1H3,(H,21,24)
InChIKeyVPXOVTDZSVADLL-UHFFFAOYSA-N
XLogP2.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chloro-6-fluorophenyl)acetyl]-N-methyl-2-azaspiro[4.4]nonane-4-carboxamide?
The IUPAC name of 2-[2-(2-chloro-6-fluorophenyl)acetyl]-N-methyl-2-azaspiro[4.4]nonane-4-carboxamide (CID 71836668) is 2-[2-(2-chloro-6-fluorophenyl)acetyl]-N-methyl-2-azaspiro[4.4]nonane-4-carboxamide.
What is the SMILES notation for 2-[2-(2-chloro-6-fluorophenyl)acetyl]-N-methyl-2-azaspiro[4.4]nonane-4-carboxamide?
The canonical SMILES for 2-[2-(2-chloro-6-fluorophenyl)acetyl]-N-methyl-2-azaspiro[4.4]nonane-4-carboxamide is CNC(=O)C1CN(C(=O)Cc2c(F)cccc2Cl)CC12CCCC2.
What is the InChIKey of 2-[2-(2-chloro-6-fluorophenyl)acetyl]-N-methyl-2-azaspiro[4.4]nonane-4-carboxamide?
The InChIKey is VPXOVTDZSVADLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClFN2O2/c1-21-17(24)13-10-22(11-18(13)7-2-3-8-18)16(23)9-12-14(19)5-4-6-15(12)20/h4-6,13H,2-3,7-11H2,1H3,(H,21,24).
What are the key properties of 2-[2-(2-chloro-6-fluorophenyl)acetyl]-N-methyl-2-azaspiro[4.4]nonane-4-carboxamide?
2-[2-(2-chloro-6-fluorophenyl)acetyl]-N-methyl-2-azaspiro[4.4]nonane-4-carboxamide has a molecular weight of 352.84 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chloro-6-fluorophenyl)acetyl]-N-methyl-2-azaspiro[4.4]nonane-4-carboxamide is sourced from PubChem (CID 71836668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).