(4-bromo-2-fluorophenyl) 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate

C17H18BrFN2O4 — CID 55341150

IUPAC(4-bromo-2-fluorophenyl) 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
SMILESCC1CCC2(CC1)NC(=O)N(CC(=O)Oc1ccc(Br)cc1F)C2=O
InChIInChI=1S/C17H18BrFN2O4/c1-10-4-6-17(7-5-10)15(23)21(16(24)20-17)9-14(22)25-13-3-2-11(18)8-12(13)19/h2-3,8,10H,4-7,9H2,1H3,(H,20,24)
InChIKeyWTFUEDLCFQXFKB-UHFFFAOYSA-N
MW413.24 g/mol
LogP2.99
Rot. Bonds3

About (4-bromo-2-fluorophenyl) 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate

(4-bromo-2-fluorophenyl) 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate (PubChem CID 55341150) has the molecular formula C17H18BrFN2O4 and a molecular weight of 413.24 g/mol. Its IUPAC name is (4-bromo-2-fluorophenyl) 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate.

Molecular Properties

Compound Name(4-bromo-2-fluorophenyl) 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
PubChem CID55341150
Molecular FormulaC17H18BrFN2O4
Molecular Weight413.24 g/mol
Exact Mass412.04
IUPAC Name(4-bromo-2-fluorophenyl) 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
SMILESCC1CCC2(CC1)NC(=O)N(CC(=O)Oc1ccc(Br)cc1F)C2=O
InChIInChI=1S/C17H18BrFN2O4/c1-10-4-6-17(7-5-10)15(23)21(16(24)20-17)9-14(22)25-13-3-2-11(18)8-12(13)19/h2-3,8,10H,4-7,9H2,1H3,(H,20,24)
InChIKeyWTFUEDLCFQXFKB-UHFFFAOYSA-N
XLogP2.99
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.24
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 47094308
2-(4-bromophenoxy)ethyl 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 47093906
(4-bromo-2-fluorophenyl)methyl 2-[(5R,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 41153495
[1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 47094481
(2-bromophenyl) 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 9439184
[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 92781510
N-(4-bromophenyl)-2-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]acetamide
CID 55879382
[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 55401391
3-[2-(4-bromophenoxy)ethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2421484
[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 55401390
N-(4-bromo-2-fluorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 2701816
(4-methoxy-2-nitrophenyl) 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 55340769

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-fluorophenyl) 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?
The IUPAC name of (4-bromo-2-fluorophenyl) 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate (CID 55341150) is (4-bromo-2-fluorophenyl) 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate.
What is the SMILES notation for (4-bromo-2-fluorophenyl) 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?
The canonical SMILES for (4-bromo-2-fluorophenyl) 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate is CC1CCC2(CC1)NC(=O)N(CC(=O)Oc1ccc(Br)cc1F)C2=O.
What is the InChIKey of (4-bromo-2-fluorophenyl) 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?
The InChIKey is WTFUEDLCFQXFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrFN2O4/c1-10-4-6-17(7-5-10)15(23)21(16(24)20-17)9-14(22)25-13-3-2-11(18)8-12(13)19/h2-3,8,10H,4-7,9H2,1H3,(H,20,24).
What are the key properties of (4-bromo-2-fluorophenyl) 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?
(4-bromo-2-fluorophenyl) 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate has a molecular weight of 413.24 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-fluorophenyl) 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate is sourced from PubChem (CID 55341150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).