2-(2-bromo-4-fluorophenyl)-2-azaspiro[4.5]decane-1,3-dione

C15H15BrFNO2 — CID 43437199

IUPAC2-(2-bromo-4-fluorophenyl)-2-azaspiro[4.5]decane-1,3-dione
SMILESO=C1CC2(CCCCC2)C(=O)N1c1ccc(F)cc1Br
InChIInChI=1S/C15H15BrFNO2/c16-11-8-10(17)4-5-12(11)18-13(19)9-15(14(18)20)6-2-1-3-7-15/h4-5,8H,1-3,6-7,9H2
InChIKeyQOYHFHMIKWCHEO-UHFFFAOYSA-N
MW340.19 g/mol
LogP3.80
Rot. Bonds1

About 2-(2-bromo-4-fluorophenyl)-2-azaspiro[4.5]decane-1,3-dione

2-(2-bromo-4-fluorophenyl)-2-azaspiro[4.5]decane-1,3-dione (PubChem CID 43437199) has the molecular formula C15H15BrFNO2 and a molecular weight of 340.19 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenyl)-2-azaspiro[4.5]decane-1,3-dione.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenyl)-2-azaspiro[4.5]decane-1,3-dione
PubChem CID43437199
Molecular FormulaC15H15BrFNO2
Molecular Weight340.19 g/mol
Exact Mass339.03
IUPAC Name2-(2-bromo-4-fluorophenyl)-2-azaspiro[4.5]decane-1,3-dione
SMILESO=C1CC2(CCCCC2)C(=O)N1c1ccc(F)cc1Br
InChIInChI=1S/C15H15BrFNO2/c16-11-8-10(17)4-5-12(11)18-13(19)9-15(14(18)20)6-2-1-3-7-15/h4-5,8H,1-3,6-7,9H2
InChIKeyQOYHFHMIKWCHEO-UHFFFAOYSA-N
XLogP3.80
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.19
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

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1-(4-Bromophenyl)-3-(2-oxocyclohexyl)pyrrolidine-2,5-dione
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2-(4-Bromophenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 3100269
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3-(4-Bromobenzyl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione
CID 2910200
1-(2-Bromophenyl)pyrrolidine-2,5-dione
CID 14147034
2-(2-bromophenyl)-3a,4,7,7a-tetrahydro-1H-spiro[2-aza-4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione
CID 2861456
2-(2-Bromophenyl)-3A,4,7,7A-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
CID 5166675
(3S)-5-(3-bromophenyl)-2,2-diphenyl-5-azaspiro[2.4]heptane-4,6-dione
CID 1309472
3-Benzyl-1-(4-fluorophenyl)-2,5-pyrrolidinedione
CID 2969548

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenyl)-2-azaspiro[4.5]decane-1,3-dione?
The IUPAC name of 2-(2-bromo-4-fluorophenyl)-2-azaspiro[4.5]decane-1,3-dione (CID 43437199) is 2-(2-bromo-4-fluorophenyl)-2-azaspiro[4.5]decane-1,3-dione.
What is the SMILES notation for 2-(2-bromo-4-fluorophenyl)-2-azaspiro[4.5]decane-1,3-dione?
The canonical SMILES for 2-(2-bromo-4-fluorophenyl)-2-azaspiro[4.5]decane-1,3-dione is O=C1CC2(CCCCC2)C(=O)N1c1ccc(F)cc1Br.
What is the InChIKey of 2-(2-bromo-4-fluorophenyl)-2-azaspiro[4.5]decane-1,3-dione?
The InChIKey is QOYHFHMIKWCHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO2/c16-11-8-10(17)4-5-12(11)18-13(19)9-15(14(18)20)6-2-1-3-7-15/h4-5,8H,1-3,6-7,9H2.
What are the key properties of 2-(2-bromo-4-fluorophenyl)-2-azaspiro[4.5]decane-1,3-dione?
2-(2-bromo-4-fluorophenyl)-2-azaspiro[4.5]decane-1,3-dione has a molecular weight of 340.19 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenyl)-2-azaspiro[4.5]decane-1,3-dione is sourced from PubChem (CID 43437199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).