N-(3-bromophenyl)-2-(3-methyl-2,6-dioxopyrimidin-1-yl)acetamide

C13H12BrN3O3 — CID 60697679

IUPACN-(3-bromophenyl)-2-(3-methyl-2,6-dioxopyrimidin-1-yl)acetamide
SMILESCn1ccc(=O)n(CC(=O)Nc2cccc(Br)c2)c1=O
InChIInChI=1S/C13H12BrN3O3/c1-16-6-5-12(19)17(13(16)20)8-11(18)15-10-4-2-3-9(14)7-10/h2-7H,8H2,1H3,(H,15,18)
InChIKeyAZLIANOYVRYNDQ-UHFFFAOYSA-N
MW338.16 g/mol
LogP0.95
Rot. Bonds3

About N-(3-bromophenyl)-2-(3-methyl-2,6-dioxopyrimidin-1-yl)acetamide

N-(3-bromophenyl)-2-(3-methyl-2,6-dioxopyrimidin-1-yl)acetamide (PubChem CID 60697679) has the molecular formula C13H12BrN3O3 and a molecular weight of 338.16 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-(3-methyl-2,6-dioxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-(3-methyl-2,6-dioxopyrimidin-1-yl)acetamide
PubChem CID60697679
Molecular FormulaC13H12BrN3O3
Molecular Weight338.16 g/mol
Exact Mass337.01
IUPAC NameN-(3-bromophenyl)-2-(3-methyl-2,6-dioxopyrimidin-1-yl)acetamide
SMILESCn1ccc(=O)n(CC(=O)Nc2cccc(Br)c2)c1=O
InChIInChI=1S/C13H12BrN3O3/c1-16-6-5-12(19)17(13(16)20)8-11(18)15-10-4-2-3-9(14)7-10/h2-7H,8H2,1H3,(H,15,18)
InChIKeyAZLIANOYVRYNDQ-UHFFFAOYSA-N
XLogP0.95
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.16
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-bromophenyl)-2-(4-methyl-2-oxo-1-pyridinyl)acetamide
CID 115614106
N-(3-bromophenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 8014767
N-(3-bromophenyl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 26465653
N-(3-bromophenyl)-2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51364728
N-(3-bromophenyl)-2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetamide
CID 126417064
N-(3-bromophenyl)-2-(3,3-dimethyl-2-oxopiperazin-1-yl)acetamide
CID 63602299
N-(3-bromophenyl)-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 2708881
N-(3-bromophenyl)-2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetamide
CID 116625442
N-(cyanomethyl)-2-(3-methyl-2,6-dioxopyrimidin-1-yl)acetamide
CID 63810281
2-(azepan-1-yl)-N-(3-bromophenyl)acetamide
CID 2958639
1-[2-(3-bromoanilino)-2-oxoethyl]-4-methylpiperidine-4-carboxylic acid
CID 63124915
N-[2-(3-bromoanilino)-2-oxoethyl]propanamide
CID 113000509

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-(3-methyl-2,6-dioxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(3-bromophenyl)-2-(3-methyl-2,6-dioxopyrimidin-1-yl)acetamide (CID 60697679) is N-(3-bromophenyl)-2-(3-methyl-2,6-dioxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-(3-methyl-2,6-dioxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-(3-methyl-2,6-dioxopyrimidin-1-yl)acetamide is Cn1ccc(=O)n(CC(=O)Nc2cccc(Br)c2)c1=O.
What is the InChIKey of N-(3-bromophenyl)-2-(3-methyl-2,6-dioxopyrimidin-1-yl)acetamide?
The InChIKey is AZLIANOYVRYNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O3/c1-16-6-5-12(19)17(13(16)20)8-11(18)15-10-4-2-3-9(14)7-10/h2-7H,8H2,1H3,(H,15,18).
What are the key properties of N-(3-bromophenyl)-2-(3-methyl-2,6-dioxopyrimidin-1-yl)acetamide?
N-(3-bromophenyl)-2-(3-methyl-2,6-dioxopyrimidin-1-yl)acetamide has a molecular weight of 338.16 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-(3-methyl-2,6-dioxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 60697679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).