8-(2-bromo-3-fluorobenzoyl)-2,8-diazaspiro[4.5]decan-3-one

C15H16BrFN2O2 — CID 81499414

IUPAC8-(2-bromo-3-fluorobenzoyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCN(C(=O)c3cccc(F)c3Br)CC2)CN1
InChIInChI=1S/C15H16BrFN2O2/c16-13-10(2-1-3-11(13)17)14(21)19-6-4-15(5-7-19)8-12(20)18-9-15/h1-3H,4-9H2,(H,18,20)
InChIKeyUSWULEZQMDQRNZ-UHFFFAOYSA-N
MW355.21 g/mol
LogP2.33
Rot. Bonds1

About 8-(2-bromo-3-fluorobenzoyl)-2,8-diazaspiro[4.5]decan-3-one

8-(2-bromo-3-fluorobenzoyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 81499414) has the molecular formula C15H16BrFN2O2 and a molecular weight of 355.21 g/mol. Its IUPAC name is 8-(2-bromo-3-fluorobenzoyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(2-bromo-3-fluorobenzoyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID81499414
Molecular FormulaC15H16BrFN2O2
Molecular Weight355.21 g/mol
Exact Mass354.04
IUPAC Name8-(2-bromo-3-fluorobenzoyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCN(C(=O)c3cccc(F)c3Br)CC2)CN1
InChIInChI=1S/C15H16BrFN2O2/c16-13-10(2-1-3-11(13)17)14(21)19-6-4-15(5-7-19)8-12(20)18-9-15/h1-3H,4-9H2,(H,18,20)
InChIKeyUSWULEZQMDQRNZ-UHFFFAOYSA-N
XLogP2.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.21
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-(3-fluoro-2-methoxybenzoyl)-2,8-diazaspiro[4.5]decan-3-one
CID 50969847
8-(2,3-dihydroxybenzoyl)-2,8-diazaspiro[4.5]decan-3-one
CID 114344968
2-[2-(3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)phenyl]sulfanylpropanoic acid
CID 119185511
8-[4-[(2-fluorophenyl)methoxy]benzoyl]-2,8-diazaspiro[4.5]decan-3-one
CID 70778858
8-(2-bromopyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 103755680
8-[2-(2-phenylethylsulfanyl)pyridine-3-carbonyl]-2,8-diazaspiro[4.5]decan-3-one
CID 91777588
(2-bromo-3-fluorophenyl)-(2,5-dihydropyrrol-1-yl)methanone
CID 131086480
8-(2-oxo-1H-pyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 103766120
8-(4-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid
CID 155831091
8-(4-piperidin-1-ylbenzoyl)-2,8-diazaspiro[4.5]decan-3-one
CID 50951911
N-[1-(2-fluorophenyl)pyrrolidin-3-yl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 139009596
8-(2,2,3,3-tetramethylcyclopropanecarbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 66476165

Frequently Asked Questions

What is the IUPAC name of 8-(2-bromo-3-fluorobenzoyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-(2-bromo-3-fluorobenzoyl)-2,8-diazaspiro[4.5]decan-3-one (CID 81499414) is 8-(2-bromo-3-fluorobenzoyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(2-bromo-3-fluorobenzoyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(2-bromo-3-fluorobenzoyl)-2,8-diazaspiro[4.5]decan-3-one is O=C1CC2(CCN(C(=O)c3cccc(F)c3Br)CC2)CN1.
What is the InChIKey of 8-(2-bromo-3-fluorobenzoyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is USWULEZQMDQRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2O2/c16-13-10(2-1-3-11(13)17)14(21)19-6-4-15(5-7-19)8-12(20)18-9-15/h1-3H,4-9H2,(H,18,20).
What are the key properties of 8-(2-bromo-3-fluorobenzoyl)-2,8-diazaspiro[4.5]decan-3-one?
8-(2-bromo-3-fluorobenzoyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 355.21 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-bromo-3-fluorobenzoyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 81499414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).