2-(4-bromo-2,6-difluorophenyl)-2-azaspiro[4.4]nonane-1,3-dione

C14H12BrF2NO2 — CID 65499734

IUPAC2-(4-bromo-2,6-difluorophenyl)-2-azaspiro[4.4]nonane-1,3-dione
SMILESO=C1CC2(CCCC2)C(=O)N1c1c(F)cc(Br)cc1F
InChIInChI=1S/C14H12BrF2NO2/c15-8-5-9(16)12(10(17)6-8)18-11(19)7-14(13(18)20)3-1-2-4-14/h5-6H,1-4,7H2
InChIKeyYNDBRKWJXNEDED-UHFFFAOYSA-N
MW344.16 g/mol
LogP3.55
Rot. Bonds1

About 2-(4-bromo-2,6-difluorophenyl)-2-azaspiro[4.4]nonane-1,3-dione

2-(4-bromo-2,6-difluorophenyl)-2-azaspiro[4.4]nonane-1,3-dione (PubChem CID 65499734) has the molecular formula C14H12BrF2NO2 and a molecular weight of 344.16 g/mol. Its IUPAC name is 2-(4-bromo-2,6-difluorophenyl)-2-azaspiro[4.4]nonane-1,3-dione.

Molecular Properties

Compound Name2-(4-bromo-2,6-difluorophenyl)-2-azaspiro[4.4]nonane-1,3-dione
PubChem CID65499734
Molecular FormulaC14H12BrF2NO2
Molecular Weight344.16 g/mol
Exact Mass343.00
IUPAC Name2-(4-bromo-2,6-difluorophenyl)-2-azaspiro[4.4]nonane-1,3-dione
SMILESO=C1CC2(CCCC2)C(=O)N1c1c(F)cc(Br)cc1F
InChIInChI=1S/C14H12BrF2NO2/c15-8-5-9(16)12(10(17)6-8)18-11(19)7-14(13(18)20)3-1-2-4-14/h5-6H,1-4,7H2
InChIKeyYNDBRKWJXNEDED-UHFFFAOYSA-N
XLogP3.55
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.16
LogP ≤ 53.55
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

8-(4-Bromophenyl)-8-azaspiro[4.5]decane-7,9-dione
CID 1552647
(1S,2R,6S,7R)-4-(4-bromophenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 7065424
2-(4-Bromo-2-fluorophenyl)hexahydro-1H-isoindole-1,3(2H)-dione
CID 12906565
1-(4-Bromophenyl)-3-(fluoromethyl)pyrrolidine-2,5-dione
CID 20033515
2-(4-Bromo-2-fluoro-phenyl)-2-aza-spiro[4.5]decan-1-one
CID 67478957
(1R,2S,6R,7S)-4-(4-bromo-2,3,5,6-tetrafluorophenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 87492202
4-(4-Bromo-2,3,5,6-tetrafluorophenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 87492204
2-(4-bromophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
CID 2836807
2-(4-bromophenyl)-5-methyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
CID 2884246
1-(4-Bromophenyl)-3-(2-oxocyclopentyl)pyrrolidine-2,5-dione
CID 139259773
(1R,2R,6S,7S)-4-(4-bromo-2-fluorophenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 823456
4-(4-Bromo-2-fluorophenyl)-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione
CID 4189418

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,6-difluorophenyl)-2-azaspiro[4.4]nonane-1,3-dione?
The IUPAC name of 2-(4-bromo-2,6-difluorophenyl)-2-azaspiro[4.4]nonane-1,3-dione (CID 65499734) is 2-(4-bromo-2,6-difluorophenyl)-2-azaspiro[4.4]nonane-1,3-dione.
What is the SMILES notation for 2-(4-bromo-2,6-difluorophenyl)-2-azaspiro[4.4]nonane-1,3-dione?
The canonical SMILES for 2-(4-bromo-2,6-difluorophenyl)-2-azaspiro[4.4]nonane-1,3-dione is O=C1CC2(CCCC2)C(=O)N1c1c(F)cc(Br)cc1F.
What is the InChIKey of 2-(4-bromo-2,6-difluorophenyl)-2-azaspiro[4.4]nonane-1,3-dione?
The InChIKey is YNDBRKWJXNEDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2NO2/c15-8-5-9(16)12(10(17)6-8)18-11(19)7-14(13(18)20)3-1-2-4-14/h5-6H,1-4,7H2.
What are the key properties of 2-(4-bromo-2,6-difluorophenyl)-2-azaspiro[4.4]nonane-1,3-dione?
2-(4-bromo-2,6-difluorophenyl)-2-azaspiro[4.4]nonane-1,3-dione has a molecular weight of 344.16 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,6-difluorophenyl)-2-azaspiro[4.4]nonane-1,3-dione is sourced from PubChem (CID 65499734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).