4-(4-bromophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione

C16H19BrN2O2 — CID 64962592

IUPAC4-(4-bromophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCC1C(=O)NC2(CCCCC2)C(=O)N1c1ccc(Br)cc1
InChIInChI=1S/C16H19BrN2O2/c1-11-14(20)18-16(9-3-2-4-10-16)15(21)19(11)13-7-5-12(17)6-8-13/h5-8,11H,2-4,9-10H2,1H3,(H,18,20)
InChIKeyGUFHNRWYOPKIGX-UHFFFAOYSA-N
MW351.24 g/mol
LogP3.00
Rot. Bonds1

About 4-(4-bromophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione

4-(4-bromophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione (PubChem CID 64962592) has the molecular formula C16H19BrN2O2 and a molecular weight of 351.24 g/mol. Its IUPAC name is 4-(4-bromophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione.

Molecular Properties

Compound Name4-(4-bromophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione
PubChem CID64962592
Molecular FormulaC16H19BrN2O2
Molecular Weight351.24 g/mol
Exact Mass350.06
IUPAC Name4-(4-bromophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCC1C(=O)NC2(CCCCC2)C(=O)N1c1ccc(Br)cc1
InChIInChI=1S/C16H19BrN2O2/c1-11-14(20)18-16(9-3-2-4-10-16)15(21)19(11)13-7-5-12(17)6-8-13/h5-8,11H,2-4,9-10H2,1H3,(H,18,20)
InChIKeyGUFHNRWYOPKIGX-UHFFFAOYSA-N
XLogP3.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione?
The IUPAC name of 4-(4-bromophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione (CID 64962592) is 4-(4-bromophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione.
What is the SMILES notation for 4-(4-bromophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione?
The canonical SMILES for 4-(4-bromophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione is CC1C(=O)NC2(CCCCC2)C(=O)N1c1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione?
The InChIKey is GUFHNRWYOPKIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O2/c1-11-14(20)18-16(9-3-2-4-10-16)15(21)19(11)13-7-5-12(17)6-8-13/h5-8,11H,2-4,9-10H2,1H3,(H,18,20).
What are the key properties of 4-(4-bromophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione?
4-(4-bromophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione has a molecular weight of 351.24 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione is sourced from PubChem (CID 64962592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).