4-(2,4-dioxo-1,3-diazinan-1-yl)benzamide

C11H11N3O3 — CID 23023749

IUPAC4-(2,4-dioxo-1,3-diazinan-1-yl)benzamide
SMILESNC(=O)c1ccc(N2CCC(=O)NC2=O)cc1
InChIInChI=1S/C11H11N3O3/c12-10(16)7-1-3-8(4-2-7)14-6-5-9(15)13-11(14)17/h1-4H,5-6H2,(H2,12,16)(H,13,15,17)
InChIKeyCTMIFROIMKRTGI-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.23
Rot. Bonds2

About 4-(2,4-dioxo-1,3-diazinan-1-yl)benzamide

4-(2,4-dioxo-1,3-diazinan-1-yl)benzamide (PubChem CID 23023749) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 4-(2,4-dioxo-1,3-diazinan-1-yl)benzamide.

Molecular Properties

Compound Name4-(2,4-dioxo-1,3-diazinan-1-yl)benzamide
PubChem CID23023749
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name4-(2,4-dioxo-1,3-diazinan-1-yl)benzamide
SMILESNC(=O)c1ccc(N2CCC(=O)NC2=O)cc1
InChIInChI=1S/C11H11N3O3/c12-10(16)7-1-3-8(4-2-7)14-6-5-9(15)13-11(14)17/h1-4H,5-6H2,(H2,12,16)(H,13,15,17)
InChIKeyCTMIFROIMKRTGI-UHFFFAOYSA-N
XLogP0.23
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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3-Allyl-2-mercapto-3H-quinazolin-4-one
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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dioxo-1,3-diazinan-1-yl)benzamide?
The IUPAC name of 4-(2,4-dioxo-1,3-diazinan-1-yl)benzamide (CID 23023749) is 4-(2,4-dioxo-1,3-diazinan-1-yl)benzamide.
What is the SMILES notation for 4-(2,4-dioxo-1,3-diazinan-1-yl)benzamide?
The canonical SMILES for 4-(2,4-dioxo-1,3-diazinan-1-yl)benzamide is NC(=O)c1ccc(N2CCC(=O)NC2=O)cc1.
What is the InChIKey of 4-(2,4-dioxo-1,3-diazinan-1-yl)benzamide?
The InChIKey is CTMIFROIMKRTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c12-10(16)7-1-3-8(4-2-7)14-6-5-9(15)13-11(14)17/h1-4H,5-6H2,(H2,12,16)(H,13,15,17).
What are the key properties of 4-(2,4-dioxo-1,3-diazinan-1-yl)benzamide?
4-(2,4-dioxo-1,3-diazinan-1-yl)benzamide has a molecular weight of 233.23 g/mol, XLogP of 0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dioxo-1,3-diazinan-1-yl)benzamide is sourced from PubChem (CID 23023749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).