8-(5-bromo-4-fluoro-2-methylphenyl)-8-azaspiro[4.5]decane-7,9-dione

C16H17BrFNO2 — CID 107592731

IUPAC8-(5-bromo-4-fluoro-2-methylphenyl)-8-azaspiro[4.5]decane-7,9-dione
SMILESCc1cc(F)c(Br)cc1N1C(=O)CC2(CCCC2)CC1=O
InChIInChI=1S/C16H17BrFNO2/c1-10-6-12(18)11(17)7-13(10)19-14(20)8-16(9-15(19)21)4-2-3-5-16/h6-7H,2-5,8-9H2,1H3
InChIKeyBEZZIFCJHBCOSY-UHFFFAOYSA-N
MW354.22 g/mol
LogP4.11
Rot. Bonds1

About 8-(5-bromo-4-fluoro-2-methylphenyl)-8-azaspiro[4.5]decane-7,9-dione

8-(5-bromo-4-fluoro-2-methylphenyl)-8-azaspiro[4.5]decane-7,9-dione (PubChem CID 107592731) has the molecular formula C16H17BrFNO2 and a molecular weight of 354.22 g/mol. Its IUPAC name is 8-(5-bromo-4-fluoro-2-methylphenyl)-8-azaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name8-(5-bromo-4-fluoro-2-methylphenyl)-8-azaspiro[4.5]decane-7,9-dione
PubChem CID107592731
Molecular FormulaC16H17BrFNO2
Molecular Weight354.22 g/mol
Exact Mass353.04
IUPAC Name8-(5-bromo-4-fluoro-2-methylphenyl)-8-azaspiro[4.5]decane-7,9-dione
SMILESCc1cc(F)c(Br)cc1N1C(=O)CC2(CCCC2)CC1=O
InChIInChI=1S/C16H17BrFNO2/c1-10-6-12(18)11(17)7-13(10)19-14(20)8-16(9-15(19)21)4-2-3-5-16/h6-7H,2-5,8-9H2,1H3
InChIKeyBEZZIFCJHBCOSY-UHFFFAOYSA-N
XLogP4.11
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.22
LogP ≤ 54.11
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

2-(5-bromo-4-fluoro-2-methylphenyl)-2-azaspiro[3.5]nonane
CID 107592764
8-(4-bromo-2,6-dimethylphenyl)-8-azaspiro[4.5]decane-7,9-dione
CID 60976378
1-(5-bromo-4-fluoro-2-methylphenyl)piperidin-2-one
CID 107592762
5-amino-2-(5-bromo-4-fluoro-2-methylphenyl)isoindole-1,3-dione
CID 107592889
1-(5-bromo-4-fluoro-2-methylphenyl)-1,3-diazinan-2-one
CID 107590497
10-(5-bromo-4-fluoro-2-methylphenyl)-6,10-diazaspiro[4.6]undecane
CID 107594271
1-(5-bromo-4-fluoro-2-methylphenyl)-1,4-diazepane-2,5-dione
CID 107594341
1-(5-bromo-4-fluoro-2-methylphenyl)-2,5-dimethylpyrrole
CID 107592754
1-(5-bromo-4-fluoro-2-methylphenyl)-3,3-dimethoxyazetidine
CID 107592763
3-(5-bromo-4-fluoro-2-methylphenyl)-1H-imidazol-2-one
CID 107590496
4-(5-bromo-4-fluoro-2-methylphenyl)-5-sulfanylidene-1,2,4-triazolidin-3-one
CID 107594143
1-(5-bromo-4-fluoro-2-methylphenyl)-3,3-dipropylazetidine
CID 107592747

Frequently Asked Questions

What is the IUPAC name of 8-(5-bromo-4-fluoro-2-methylphenyl)-8-azaspiro[4.5]decane-7,9-dione?
The IUPAC name of 8-(5-bromo-4-fluoro-2-methylphenyl)-8-azaspiro[4.5]decane-7,9-dione (CID 107592731) is 8-(5-bromo-4-fluoro-2-methylphenyl)-8-azaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 8-(5-bromo-4-fluoro-2-methylphenyl)-8-azaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 8-(5-bromo-4-fluoro-2-methylphenyl)-8-azaspiro[4.5]decane-7,9-dione is Cc1cc(F)c(Br)cc1N1C(=O)CC2(CCCC2)CC1=O.
What is the InChIKey of 8-(5-bromo-4-fluoro-2-methylphenyl)-8-azaspiro[4.5]decane-7,9-dione?
The InChIKey is BEZZIFCJHBCOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO2/c1-10-6-12(18)11(17)7-13(10)19-14(20)8-16(9-15(19)21)4-2-3-5-16/h6-7H,2-5,8-9H2,1H3.
What are the key properties of 8-(5-bromo-4-fluoro-2-methylphenyl)-8-azaspiro[4.5]decane-7,9-dione?
8-(5-bromo-4-fluoro-2-methylphenyl)-8-azaspiro[4.5]decane-7,9-dione has a molecular weight of 354.22 g/mol, XLogP of 4.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-bromo-4-fluoro-2-methylphenyl)-8-azaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 107592731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).