2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(4-bromophenyl)acetamide

C19H16BrN3O3 — CID 9138324

IUPAC2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(4-bromophenyl)acetamide
SMILESO=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)Nc1ccc(Br)cc1
InChIInChI=1S/C19H16BrN3O3/c20-15-6-8-16(9-7-15)21-17(24)13-23-18(25)10-11-22(19(23)26)12-14-4-2-1-3-5-14/h1-11H,12-13H2,(H,21,24)
InChIKeyZJGVAOYKPMIZNF-UHFFFAOYSA-N
MW414.26 g/mol
LogP2.46
Rot. Bonds5

About 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(4-bromophenyl)acetamide

2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(4-bromophenyl)acetamide (PubChem CID 9138324) has the molecular formula C19H16BrN3O3 and a molecular weight of 414.26 g/mol. Its IUPAC name is 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(4-bromophenyl)acetamide.

Molecular Properties

Compound Name2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(4-bromophenyl)acetamide
PubChem CID9138324
Molecular FormulaC19H16BrN3O3
Molecular Weight414.26 g/mol
Exact Mass413.04
IUPAC Name2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(4-bromophenyl)acetamide
SMILESO=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)Nc1ccc(Br)cc1
InChIInChI=1S/C19H16BrN3O3/c20-15-6-8-16(9-7-15)21-17(24)13-23-18(25)10-11-22(19(23)26)12-14-4-2-1-3-5-14/h1-11H,12-13H2,(H,21,24)
InChIKeyZJGVAOYKPMIZNF-UHFFFAOYSA-N
XLogP2.46
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.26
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(4-ethylphenyl)acetamide
CID 17498072
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(4-nitrophenyl)acetamide
CID 16565921
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-prop-2-enylacetamide
CID 9207698
2-[3-[5-(4-bromophenoxy)pentyl]-2,6-dioxopyrimidin-1-yl]-N-(4-phenoxyphenyl)acetamide
CID 122192828
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[4-(difluoromethoxy)-3-fluorophenyl]acetamide
CID 112845975
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(5-bromo-2-morpholin-4-ylphenyl)acetamide
CID 112795869
N-(4-ethylphenyl)-2-[3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide
CID 50755299
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide
CID 16625861
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(3-phenylpropyl)acetamide
CID 29353373
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(2-fluoro-5-methylphenyl)acetamide
CID 17497149
1,3-bis[(4-bromophenyl)methyl]pyrimidine-2,4-dione
CID 10765948
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate
CID 9136802

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(4-bromophenyl)acetamide?
The IUPAC name of 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(4-bromophenyl)acetamide (CID 9138324) is 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(4-bromophenyl)acetamide.
What is the SMILES notation for 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(4-bromophenyl)acetamide?
The canonical SMILES for 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(4-bromophenyl)acetamide is O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)Nc1ccc(Br)cc1.
What is the InChIKey of 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(4-bromophenyl)acetamide?
The InChIKey is ZJGVAOYKPMIZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O3/c20-15-6-8-16(9-7-15)21-17(24)13-23-18(25)10-11-22(19(23)26)12-14-4-2-1-3-5-14/h1-11H,12-13H2,(H,21,24).
What are the key properties of 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(4-bromophenyl)acetamide?
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(4-bromophenyl)acetamide has a molecular weight of 414.26 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(4-bromophenyl)acetamide is sourced from PubChem (CID 9138324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).