2-(4-fluorobenzoyl)-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

C19H25FN2O3 — CID 118739785

IUPAC2-(4-fluorobenzoyl)-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCC(C)NC(=O)C1CN(C(=O)c2ccc(F)cc2)CC12CCOCC2
InChIInChI=1S/C19H25FN2O3/c1-13(2)21-17(23)16-11-22(12-19(16)7-9-25-10-8-19)18(24)14-3-5-15(20)6-4-14/h3-6,13,16H,7-12H2,1-2H3,(H,21,23)
InChIKeyPXIYZHWZJXYTSO-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.22
Rot. Bonds3

About 2-(4-fluorobenzoyl)-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

2-(4-fluorobenzoyl)-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 118739785) has the molecular formula C19H25FN2O3 and a molecular weight of 348.42 g/mol. Its IUPAC name is 2-(4-fluorobenzoyl)-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound Name2-(4-fluorobenzoyl)-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID118739785
Molecular FormulaC19H25FN2O3
Molecular Weight348.42 g/mol
Exact Mass348.18
IUPAC Name2-(4-fluorobenzoyl)-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCC(C)NC(=O)C1CN(C(=O)c2ccc(F)cc2)CC12CCOCC2
InChIInChI=1S/C19H25FN2O3/c1-13(2)21-17(23)16-11-22(12-19(16)7-9-25-10-8-19)18(24)14-3-5-15(20)6-4-14/h3-6,13,16H,7-12H2,1-2H3,(H,21,23)
InChIKeyPXIYZHWZJXYTSO-UHFFFAOYSA-N
XLogP2.22
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N2-[(4-Fluorophenyl)methyl]-N4,N4-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
CID 91924909
(5R)-9-(3-fluorobenzoyl)-N-propan-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 3234584
1-(3-fluoro-4-methylbenzoyl)-3-methyl-N-propylpyrrolidine-3-carboxamide
CID 46942772
N-ethyl-1-(2-fluorobenzoyl)-3-methylpyrrolidine-3-carboxamide
CID 49790590
N-ethyl-1-(5-fluoro-2-methylbenzoyl)-3-methylpyrrolidine-3-carboxamide
CID 49791469
1-(2-fluorobenzoyl)-N-(2-methylpropyl)-4-phenylpyrrolidine-3-carboxamide
CID 42680113
1-benzoyl-4-(3-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide
CID 42681251
1-(4-fluorobenzoyl)-4-(3-fluorophenyl)-N-propan-2-ylpyrrolidine-3-carboxamide
CID 42681269
1-benzoyl-4-(3-fluorophenyl)-N-propan-2-ylpyrrolidine-3-carboxamide
CID 42681273
1-(2-Fluorobenzoyl)-4-(3-fluorophenyl)-N-(propan-2-YL)pyrrolidine-3-carboxamide
CID 42681275
1-(3,5-difluorobenzoyl)-N-ethyl-3-methylpyrrolidine-3-carboxamide
CID 46942761
1-(4-fluoro-3-methylbenzoyl)-N-(2-methoxyethyl)-3-methylpyrrolidine-3-carboxamide
CID 46943439

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorobenzoyl)-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of 2-(4-fluorobenzoyl)-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (CID 118739785) is 2-(4-fluorobenzoyl)-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for 2-(4-fluorobenzoyl)-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for 2-(4-fluorobenzoyl)-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is CC(C)NC(=O)C1CN(C(=O)c2ccc(F)cc2)CC12CCOCC2.
What is the InChIKey of 2-(4-fluorobenzoyl)-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is PXIYZHWZJXYTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O3/c1-13(2)21-17(23)16-11-22(12-19(16)7-9-25-10-8-19)18(24)14-3-5-15(20)6-4-14/h3-6,13,16H,7-12H2,1-2H3,(H,21,23).
What are the key properties of 2-(4-fluorobenzoyl)-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
2-(4-fluorobenzoyl)-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 348.42 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorobenzoyl)-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 118739785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).