2-(3,4-difluorobenzoyl)-N-methyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

C17H20F2N2O3 — CID 91924736

IUPAC2-(3,4-difluorobenzoyl)-N-methyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCNC(=O)C1CN(C(=O)c2ccc(F)c(F)c2)CC12CCOCC2
InChIInChI=1S/C17H20F2N2O3/c1-20-15(22)12-9-21(10-17(12)4-6-24-7-5-17)16(23)11-2-3-13(18)14(19)8-11/h2-3,8,12H,4-7,9-10H2,1H3,(H,20,22)
InChIKeyZTVVZHWTQMCNDE-UHFFFAOYSA-N
MW338.35 g/mol
LogP1.58
Rot. Bonds2

About 2-(3,4-difluorobenzoyl)-N-methyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

2-(3,4-difluorobenzoyl)-N-methyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 91924736) has the molecular formula C17H20F2N2O3 and a molecular weight of 338.35 g/mol. Its IUPAC name is 2-(3,4-difluorobenzoyl)-N-methyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-difluorobenzoyl)-N-methyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID91924736
Molecular FormulaC17H20F2N2O3
Molecular Weight338.35 g/mol
Exact Mass338.14
IUPAC Name2-(3,4-difluorobenzoyl)-N-methyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCNC(=O)C1CN(C(=O)c2ccc(F)c(F)c2)CC12CCOCC2
InChIInChI=1S/C17H20F2N2O3/c1-20-15(22)12-9-21(10-17(12)4-6-24-7-5-17)16(23)11-2-3-13(18)14(19)8-11/h2-3,8,12H,4-7,9-10H2,1H3,(H,20,22)
InChIKeyZTVVZHWTQMCNDE-UHFFFAOYSA-N
XLogP1.58
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorobenzoyl)-N-methyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of 2-(3,4-difluorobenzoyl)-N-methyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (CID 91924736) is 2-(3,4-difluorobenzoyl)-N-methyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for 2-(3,4-difluorobenzoyl)-N-methyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for 2-(3,4-difluorobenzoyl)-N-methyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is CNC(=O)C1CN(C(=O)c2ccc(F)c(F)c2)CC12CCOCC2.
What is the InChIKey of 2-(3,4-difluorobenzoyl)-N-methyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is ZTVVZHWTQMCNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2O3/c1-20-15(22)12-9-21(10-17(12)4-6-24-7-5-17)16(23)11-2-3-13(18)14(19)8-11/h2-3,8,12H,4-7,9-10H2,1H3,(H,20,22).
What are the key properties of 2-(3,4-difluorobenzoyl)-N-methyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
2-(3,4-difluorobenzoyl)-N-methyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 338.35 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorobenzoyl)-N-methyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 91924736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).