5-bromo-2-chloro-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)benzamide

C13H11BrClN3O3 — CID 2148450

IUPAC5-bromo-2-chloro-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)benzamide
SMILESCn1c(NC(=O)c2cc(Br)ccc2Cl)cc(=O)n(C)c1=O
InChIInChI=1S/C13H11BrClN3O3/c1-17-10(6-11(19)18(2)13(17)21)16-12(20)8-5-7(14)3-4-9(8)15/h3-6H,1-2H3,(H,16,20)
InChIKeyTVAJNCLGGXLZLZ-UHFFFAOYSA-N
MW372.61 g/mol
LogP1.75
Rot. Bonds2

About 5-bromo-2-chloro-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)benzamide

5-bromo-2-chloro-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)benzamide (PubChem CID 2148450) has the molecular formula C13H11BrClN3O3 and a molecular weight of 372.61 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)benzamide
PubChem CID2148450
Molecular FormulaC13H11BrClN3O3
Molecular Weight372.61 g/mol
Exact Mass370.97
IUPAC Name5-bromo-2-chloro-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)benzamide
SMILESCn1c(NC(=O)c2cc(Br)ccc2Cl)cc(=O)n(C)c1=O
InChIInChI=1S/C13H11BrClN3O3/c1-17-10(6-11(19)18(2)13(17)21)16-12(20)8-5-7(14)3-4-9(8)15/h3-6H,1-2H3,(H,16,20)
InChIKeyTVAJNCLGGXLZLZ-UHFFFAOYSA-N
XLogP1.75
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.61
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)benzamide?
The IUPAC name of 5-bromo-2-chloro-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)benzamide (CID 2148450) is 5-bromo-2-chloro-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)benzamide is Cn1c(NC(=O)c2cc(Br)ccc2Cl)cc(=O)n(C)c1=O.
What is the InChIKey of 5-bromo-2-chloro-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)benzamide?
The InChIKey is TVAJNCLGGXLZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClN3O3/c1-17-10(6-11(19)18(2)13(17)21)16-12(20)8-5-7(14)3-4-9(8)15/h3-6H,1-2H3,(H,16,20).
What are the key properties of 5-bromo-2-chloro-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)benzamide?
5-bromo-2-chloro-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)benzamide has a molecular weight of 372.61 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)benzamide is sourced from PubChem (CID 2148450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).