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

C14H13BrFNO2 — CID 43437200

IUPAC2-(2-bromo-4-fluorophenyl)-2-azaspiro[4.4]nonane-1,3-dione
SMILESO=C1CC2(CCCC2)C(=O)N1c1ccc(F)cc1Br
InChIInChI=1S/C14H13BrFNO2/c15-10-7-9(16)3-4-11(10)17-12(18)8-14(13(17)19)5-1-2-6-14/h3-4,7H,1-2,5-6,8H2
InChIKeyGEJZZSDKZSSUJP-UHFFFAOYSA-N
MW326.17 g/mol
LogP3.41
Rot. Bonds1

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

2-(2-bromo-4-fluorophenyl)-2-azaspiro[4.4]nonane-1,3-dione (PubChem CID 43437200) has the molecular formula C14H13BrFNO2 and a molecular weight of 326.17 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenyl)-2-azaspiro[4.4]nonane-1,3-dione.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenyl)-2-azaspiro[4.4]nonane-1,3-dione
PubChem CID43437200
Molecular FormulaC14H13BrFNO2
Molecular Weight326.17 g/mol
Exact Mass325.01
IUPAC Name2-(2-bromo-4-fluorophenyl)-2-azaspiro[4.4]nonane-1,3-dione
SMILESO=C1CC2(CCCC2)C(=O)N1c1ccc(F)cc1Br
InChIInChI=1S/C14H13BrFNO2/c15-10-7-9(16)3-4-11(10)17-12(18)8-14(13(17)19)5-1-2-6-14/h3-4,7H,1-2,5-6,8H2
InChIKeyGEJZZSDKZSSUJP-UHFFFAOYSA-N
XLogP3.41
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.17
LogP ≤ 53.41
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

3-(4-Bromobenzyl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione
CID 2910200
8-(4-Bromophenyl)-8-azaspiro[4.5]decane-7,9-dione
CID 1552647
1-(2-Bromophenyl)pyrrolidine-2,5-dione
CID 14147034
4-(3-Bromophenyl)-4-azatricyclo(5.2.1.0,2,6)dec-8-ene-3,5-dione
CID 3857832
N-(3-trifluoromethyl phenyl)-2-azaspiro [4.4]nonane-1,3-dione
CID 11702107
2-Azaspiro[4.4]nonane-1,3-dione, 2-(4-iodophenyl)-
CID 2796219
2-(2-bromophenyl)-3a,4,7,7a-tetrahydro-1H-spiro[2-aza-4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione
CID 2861456
(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
1-[4-(Bromomethyl)-2-fluorophenyl]pyrrolidine-2,5-dione
CID 89222939

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenyl)-2-azaspiro[4.4]nonane-1,3-dione?
The IUPAC name of 2-(2-bromo-4-fluorophenyl)-2-azaspiro[4.4]nonane-1,3-dione (CID 43437200) is 2-(2-bromo-4-fluorophenyl)-2-azaspiro[4.4]nonane-1,3-dione.
What is the SMILES notation for 2-(2-bromo-4-fluorophenyl)-2-azaspiro[4.4]nonane-1,3-dione?
The canonical SMILES for 2-(2-bromo-4-fluorophenyl)-2-azaspiro[4.4]nonane-1,3-dione is O=C1CC2(CCCC2)C(=O)N1c1ccc(F)cc1Br.
What is the InChIKey of 2-(2-bromo-4-fluorophenyl)-2-azaspiro[4.4]nonane-1,3-dione?
The InChIKey is GEJZZSDKZSSUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO2/c15-10-7-9(16)3-4-11(10)17-12(18)8-14(13(17)19)5-1-2-6-14/h3-4,7H,1-2,5-6,8H2.
What are the key properties of 2-(2-bromo-4-fluorophenyl)-2-azaspiro[4.4]nonane-1,3-dione?
2-(2-bromo-4-fluorophenyl)-2-azaspiro[4.4]nonane-1,3-dione has a molecular weight of 326.17 g/mol, XLogP of 3.41, 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[4.4]nonane-1,3-dione is sourced from PubChem (CID 43437200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).