3-[2-(4-bromophenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione

C17H19BrN2O3 — CID 2710899

IUPAC3-[2-(4-bromophenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
SMILESO=C(CN1C(=O)NC2(CCCCCC2)C1=O)c1ccc(Br)cc1
InChIInChI=1S/C17H19BrN2O3/c18-13-7-5-12(6-8-13)14(21)11-20-15(22)17(19-16(20)23)9-3-1-2-4-10-17/h5-8H,1-4,9-11H2,(H,19,23)
InChIKeyYBVLKFZJFPFJSO-UHFFFAOYSA-N
MW379.25 g/mol
LogP3.28
Rot. Bonds3

About 3-[2-(4-bromophenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione

3-[2-(4-bromophenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione (PubChem CID 2710899) has the molecular formula C17H19BrN2O3 and a molecular weight of 379.25 g/mol. Its IUPAC name is 3-[2-(4-bromophenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione.

Molecular Properties

Compound Name3-[2-(4-bromophenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
PubChem CID2710899
Molecular FormulaC17H19BrN2O3
Molecular Weight379.25 g/mol
Exact Mass378.06
IUPAC Name3-[2-(4-bromophenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
SMILESO=C(CN1C(=O)NC2(CCCCCC2)C1=O)c1ccc(Br)cc1
InChIInChI=1S/C17H19BrN2O3/c18-13-7-5-12(6-8-13)14(21)11-20-15(22)17(19-16(20)23)9-3-1-2-4-10-17/h5-8H,1-4,9-11H2,(H,19,23)
InChIKeyYBVLKFZJFPFJSO-UHFFFAOYSA-N
XLogP3.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.25
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(4-bromophenyl)-2-oxoethyl]-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7264317
3-[2-oxo-2-(4-phenoxyphenyl)ethyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 51113723
N-[4-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]phenyl]propanamide
CID 7277275
3-[2-(3-chlorophenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 17457674
3-[2-(3-chlorophenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 17413736
3-[2-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 3986972
3-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 33406346
3-(2-oxopropyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7610156
3-[2-(2-methylphenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 47056760
N-(4-bromo-2-fluorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 2701816
3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2452438
3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7043462

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-bromophenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The IUPAC name of 3-[2-(4-bromophenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione (CID 2710899) is 3-[2-(4-bromophenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione.
What is the SMILES notation for 3-[2-(4-bromophenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The canonical SMILES for 3-[2-(4-bromophenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione is O=C(CN1C(=O)NC2(CCCCCC2)C1=O)c1ccc(Br)cc1.
What is the InChIKey of 3-[2-(4-bromophenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The InChIKey is YBVLKFZJFPFJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O3/c18-13-7-5-12(6-8-13)14(21)11-20-15(22)17(19-16(20)23)9-3-1-2-4-10-17/h5-8H,1-4,9-11H2,(H,19,23).
What are the key properties of 3-[2-(4-bromophenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
3-[2-(4-bromophenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione has a molecular weight of 379.25 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-bromophenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione is sourced from PubChem (CID 2710899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).