3,4-dichloro-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)benzamide

C15H15Cl2N3O3 — CID 4794292

IUPAC3,4-dichloro-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)benzamide
SMILESO=C(NN1C(=O)NC2(CCCCC2)C1=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H15Cl2N3O3/c16-10-5-4-9(8-11(10)17)12(21)19-20-13(22)15(18-14(20)23)6-2-1-3-7-15/h4-5,8H,1-3,6-7H2,(H,18,23)(H,19,21)
InChIKeyAWYGJPQGNLQXIT-UHFFFAOYSA-N
MW356.21 g/mol
LogP2.89
Rot. Bonds2

About 3,4-dichloro-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)benzamide

3,4-dichloro-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)benzamide (PubChem CID 4794292) has the molecular formula C15H15Cl2N3O3 and a molecular weight of 356.21 g/mol. Its IUPAC name is 3,4-dichloro-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)benzamide
PubChem CID4794292
Molecular FormulaC15H15Cl2N3O3
Molecular Weight356.21 g/mol
Exact Mass355.05
IUPAC Name3,4-dichloro-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)benzamide
SMILESO=C(NN1C(=O)NC2(CCCCC2)C1=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H15Cl2N3O3/c16-10-5-4-9(8-11(10)17)12(21)19-20-13(22)15(18-14(20)23)6-2-1-3-7-15/h4-5,8H,1-3,6-7H2,(H,18,23)(H,19,21)
InChIKeyAWYGJPQGNLQXIT-UHFFFAOYSA-N
XLogP2.89
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.21
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)benzamide?
The IUPAC name of 3,4-dichloro-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)benzamide (CID 4794292) is 3,4-dichloro-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)benzamide.
What is the SMILES notation for 3,4-dichloro-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)benzamide?
The canonical SMILES for 3,4-dichloro-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)benzamide is O=C(NN1C(=O)NC2(CCCCC2)C1=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)benzamide?
The InChIKey is AWYGJPQGNLQXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O3/c16-10-5-4-9(8-11(10)17)12(21)19-20-13(22)15(18-14(20)23)6-2-1-3-7-15/h4-5,8H,1-3,6-7H2,(H,18,23)(H,19,21).
What are the key properties of 3,4-dichloro-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)benzamide?
3,4-dichloro-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)benzamide has a molecular weight of 356.21 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)benzamide is sourced from PubChem (CID 4794292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).