2-bromo-N-(2,4-dioxo-1H-pyrimidin-5-yl)benzamide

C11H8BrN3O3 — CID 879398

IUPAC2-bromo-N-(2,4-dioxo-1H-pyrimidin-5-yl)benzamide
SMILESO=C(Nc1c[nH]c(=O)[nH]c1=O)c1ccccc1Br
InChIInChI=1S/C11H8BrN3O3/c12-7-4-2-1-3-6(7)9(16)14-8-5-13-11(18)15-10(8)17/h1-5H,(H,14,16)(H2,13,15,17,18)
InChIKeyUCNASAOXNDYWLC-UHFFFAOYSA-N
MW310.11 g/mol
LogP1.08
Rot. Bonds2

About 2-bromo-N-(2,4-dioxo-1H-pyrimidin-5-yl)benzamide

2-bromo-N-(2,4-dioxo-1H-pyrimidin-5-yl)benzamide (PubChem CID 879398) has the molecular formula C11H8BrN3O3 and a molecular weight of 310.11 g/mol. Its IUPAC name is 2-bromo-N-(2,4-dioxo-1H-pyrimidin-5-yl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(2,4-dioxo-1H-pyrimidin-5-yl)benzamide
PubChem CID879398
Molecular FormulaC11H8BrN3O3
Molecular Weight310.11 g/mol
Exact Mass308.97
IUPAC Name2-bromo-N-(2,4-dioxo-1H-pyrimidin-5-yl)benzamide
SMILESO=C(Nc1c[nH]c(=O)[nH]c1=O)c1ccccc1Br
InChIInChI=1S/C11H8BrN3O3/c12-7-4-2-1-3-6(7)9(16)14-8-5-13-11(18)15-10(8)17/h1-5H,(H,14,16)(H2,13,15,17,18)
InChIKeyUCNASAOXNDYWLC-UHFFFAOYSA-N
XLogP1.08
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.11
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2,4-dioxo-1H-pyrimidin-5-yl)benzamide?
The IUPAC name of 2-bromo-N-(2,4-dioxo-1H-pyrimidin-5-yl)benzamide (CID 879398) is 2-bromo-N-(2,4-dioxo-1H-pyrimidin-5-yl)benzamide.
What is the SMILES notation for 2-bromo-N-(2,4-dioxo-1H-pyrimidin-5-yl)benzamide?
The canonical SMILES for 2-bromo-N-(2,4-dioxo-1H-pyrimidin-5-yl)benzamide is O=C(Nc1c[nH]c(=O)[nH]c1=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(2,4-dioxo-1H-pyrimidin-5-yl)benzamide?
The InChIKey is UCNASAOXNDYWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN3O3/c12-7-4-2-1-3-6(7)9(16)14-8-5-13-11(18)15-10(8)17/h1-5H,(H,14,16)(H2,13,15,17,18).
What are the key properties of 2-bromo-N-(2,4-dioxo-1H-pyrimidin-5-yl)benzamide?
2-bromo-N-(2,4-dioxo-1H-pyrimidin-5-yl)benzamide has a molecular weight of 310.11 g/mol, XLogP of 1.08, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2,4-dioxo-1H-pyrimidin-5-yl)benzamide is sourced from PubChem (CID 879398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).