2-(2,5-difluorobenzoyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

C18H22F2N2O3 — CID 91912601

IUPAC2-(2,5-difluorobenzoyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCN(C)C(=O)C1CN(C(=O)c2cc(F)ccc2F)CC12CCOCC2
InChIInChI=1S/C18H22F2N2O3/c1-21(2)17(24)14-10-22(11-18(14)5-7-25-8-6-18)16(23)13-9-12(19)3-4-15(13)20/h3-4,9,14H,5-8,10-11H2,1-2H3
InChIKeyOQJFIAUPRHBBEP-UHFFFAOYSA-N
MW352.38 g/mol
LogP1.92
Rot. Bonds2

About 2-(2,5-difluorobenzoyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

2-(2,5-difluorobenzoyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 91912601) has the molecular formula C18H22F2N2O3 and a molecular weight of 352.38 g/mol. Its IUPAC name is 2-(2,5-difluorobenzoyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound Name2-(2,5-difluorobenzoyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID91912601
Molecular FormulaC18H22F2N2O3
Molecular Weight352.38 g/mol
Exact Mass352.16
IUPAC Name2-(2,5-difluorobenzoyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCN(C)C(=O)C1CN(C(=O)c2cc(F)ccc2F)CC12CCOCC2
InChIInChI=1S/C18H22F2N2O3/c1-21(2)17(24)14-10-22(11-18(14)5-7-25-8-6-18)16(23)13-9-12(19)3-4-15(13)20/h3-4,9,14H,5-8,10-11H2,1-2H3
InChIKeyOQJFIAUPRHBBEP-UHFFFAOYSA-N
XLogP1.92
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Pyrrolidinone, 1-(4-fluorobenzoyl)-5-(pentyloxy)-, (+-)-
CID 3077948
Ethyl 1-(2,6-difluorobenzoyl)-3-methylpiperidine-3-carboxylate
CID 46943904
2,6-Difluoro-N-[(oxolan-3-YL)methyl]-N-propylbenzamide
CID 91915475
N2-[(4-Fluorophenyl)methyl]-N4,N4-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
CID 91924909
[1-(3-Fluorobenzoyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 662296
(3-fluorophenyl)-[(5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 3234583
[2-Benzyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]dec-8-yl](2-fluorophenyl)methanone
CID 91924989
N-methyl-N-(oxan-4-ylmethyl)benzamide
CID 64590941
(3-fluorophenyl)-[(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 3235376
N,N-diethyl-1-(2-fluorobenzoyl)-4-phenyl-3-pyrrolidinecarboxamide
CID 42680184
N-ethyl-1-(2-fluorobenzoyl)-N-methyl-4-phenylpyrrolidine-3-carboxamide
CID 42680196
Ethyl 1-(3,5-difluorobenzoyl)-3-methylpiperidine-3-carboxylate
CID 46943524

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorobenzoyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of 2-(2,5-difluorobenzoyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (CID 91912601) is 2-(2,5-difluorobenzoyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for 2-(2,5-difluorobenzoyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for 2-(2,5-difluorobenzoyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is CN(C)C(=O)C1CN(C(=O)c2cc(F)ccc2F)CC12CCOCC2.
What is the InChIKey of 2-(2,5-difluorobenzoyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is OQJFIAUPRHBBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N2O3/c1-21(2)17(24)14-10-22(11-18(14)5-7-25-8-6-18)16(23)13-9-12(19)3-4-15(13)20/h3-4,9,14H,5-8,10-11H2,1-2H3.
What are the key properties of 2-(2,5-difluorobenzoyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
2-(2,5-difluorobenzoyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 352.38 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorobenzoyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 91912601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).