7-(3,5-dibromobenzoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione

C13H11Br2N3O3 — CID 103908737

IUPAC7-(3,5-dibromobenzoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC(=O)C2(CCN(C(=O)c3cc(Br)cc(Br)c3)C2)N1
InChIInChI=1S/C13H11Br2N3O3/c14-8-3-7(4-9(15)5-8)10(19)18-2-1-13(6-18)11(20)16-12(21)17-13/h3-5H,1-2,6H2,(H2,16,17,20,21)
InChIKeyYPWODPLUTTVIKD-UHFFFAOYSA-N
MW417.06 g/mol
LogP1.64
Rot. Bonds1

About 7-(3,5-dibromobenzoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione

7-(3,5-dibromobenzoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione (PubChem CID 103908737) has the molecular formula C13H11Br2N3O3 and a molecular weight of 417.06 g/mol. Its IUPAC name is 7-(3,5-dibromobenzoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name7-(3,5-dibromobenzoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
PubChem CID103908737
Molecular FormulaC13H11Br2N3O3
Molecular Weight417.06 g/mol
Exact Mass414.92
IUPAC Name7-(3,5-dibromobenzoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC(=O)C2(CCN(C(=O)c3cc(Br)cc(Br)c3)C2)N1
InChIInChI=1S/C13H11Br2N3O3/c14-8-3-7(4-9(15)5-8)10(19)18-2-1-13(6-18)11(20)16-12(21)17-13/h3-5H,1-2,6H2,(H2,16,17,20,21)
InChIKeyYPWODPLUTTVIKD-UHFFFAOYSA-N
XLogP1.64
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.06
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-(4-bromo-3-chlorobenzoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 80998098
7-(5-bromo-2-methylbenzoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 79012195
7-(5-bromo-2-fluorobenzoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78995962
7-(5-hydroxypyridine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78996341
7-(3-methylbenzoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78996277
7-(1H-pyrazole-4-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78996239
7-(5-fluoropyridine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 115694744
7-(5-bromo-4-methylthiophene-2-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 79964208
(3,5-dibromophenyl)-(3,3-difluoropyrrolidin-1-yl)methanone
CID 155289431
7-(2-bromofuran-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 106854189
N-[4-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carbonyl)phenyl]acetamide
CID 147946816
7-(6-fluoropyridine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 79210280

Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dibromobenzoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 7-(3,5-dibromobenzoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione (CID 103908737) is 7-(3,5-dibromobenzoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 7-(3,5-dibromobenzoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 7-(3,5-dibromobenzoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione is O=C1NC(=O)C2(CCN(C(=O)c3cc(Br)cc(Br)c3)C2)N1.
What is the InChIKey of 7-(3,5-dibromobenzoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The InChIKey is YPWODPLUTTVIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2N3O3/c14-8-3-7(4-9(15)5-8)10(19)18-2-1-13(6-18)11(20)16-12(21)17-13/h3-5H,1-2,6H2,(H2,16,17,20,21).
What are the key properties of 7-(3,5-dibromobenzoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
7-(3,5-dibromobenzoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione has a molecular weight of 417.06 g/mol, XLogP of 1.64, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dibromobenzoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 103908737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).