3-bromo-N-(2,4-dioxo-1H-pyrimidin-6-yl)benzamide

C11H8BrN3O3 — CID 2148535

IUPAC3-bromo-N-(2,4-dioxo-1H-pyrimidin-6-yl)benzamide
SMILESO=C(Nc1cc(=O)[nH]c(=O)[nH]1)c1cccc(Br)c1
InChIInChI=1S/C11H8BrN3O3/c12-7-3-1-2-6(4-7)10(17)13-8-5-9(16)15-11(18)14-8/h1-5H,(H3,13,14,15,16,17,18)
InChIKeyUGLSIBHPOIMFEZ-UHFFFAOYSA-N
MW310.11 g/mol
LogP1.08
Rot. Bonds2

About 3-bromo-N-(2,4-dioxo-1H-pyrimidin-6-yl)benzamide

3-bromo-N-(2,4-dioxo-1H-pyrimidin-6-yl)benzamide (PubChem CID 2148535) has the molecular formula C11H8BrN3O3 and a molecular weight of 310.11 g/mol. Its IUPAC name is 3-bromo-N-(2,4-dioxo-1H-pyrimidin-6-yl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(2,4-dioxo-1H-pyrimidin-6-yl)benzamide
PubChem CID2148535
Molecular FormulaC11H8BrN3O3
Molecular Weight310.11 g/mol
Exact Mass308.97
IUPAC Name3-bromo-N-(2,4-dioxo-1H-pyrimidin-6-yl)benzamide
SMILESO=C(Nc1cc(=O)[nH]c(=O)[nH]1)c1cccc(Br)c1
InChIInChI=1S/C11H8BrN3O3/c12-7-3-1-2-6(4-7)10(17)13-8-5-9(16)15-11(18)14-8/h1-5H,(H3,13,14,15,16,17,18)
InChIKeyUGLSIBHPOIMFEZ-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 3-bromo-N-(2,4-dioxo-1H-pyrimidin-6-yl)benzamide?
The IUPAC name of 3-bromo-N-(2,4-dioxo-1H-pyrimidin-6-yl)benzamide (CID 2148535) is 3-bromo-N-(2,4-dioxo-1H-pyrimidin-6-yl)benzamide.
What is the SMILES notation for 3-bromo-N-(2,4-dioxo-1H-pyrimidin-6-yl)benzamide?
The canonical SMILES for 3-bromo-N-(2,4-dioxo-1H-pyrimidin-6-yl)benzamide is O=C(Nc1cc(=O)[nH]c(=O)[nH]1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(2,4-dioxo-1H-pyrimidin-6-yl)benzamide?
The InChIKey is UGLSIBHPOIMFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN3O3/c12-7-3-1-2-6(4-7)10(17)13-8-5-9(16)15-11(18)14-8/h1-5H,(H3,13,14,15,16,17,18).
What are the key properties of 3-bromo-N-(2,4-dioxo-1H-pyrimidin-6-yl)benzamide?
3-bromo-N-(2,4-dioxo-1H-pyrimidin-6-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 3-bromo-N-(2,4-dioxo-1H-pyrimidin-6-yl)benzamide is sourced from PubChem (CID 2148535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).