2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(5-bromo-2-morpholin-4-ylphenyl)acetamide

C23H23BrN4O4 — CID 112795869

IUPAC2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(5-bromo-2-morpholin-4-ylphenyl)acetamide
SMILESO=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)Nc1cc(Br)ccc1N1CCOCC1
InChIInChI=1S/C23H23BrN4O4/c24-18-6-7-20(26-10-12-32-13-11-26)19(14-18)25-21(29)16-28-22(30)8-9-27(23(28)31)15-17-4-2-1-3-5-17/h1-9,14H,10-13,15-16H2,(H,25,29)
InChIKeyODIXFSVGHJLGFA-UHFFFAOYSA-N
MW499.37 g/mol
LogP2.30
Rot. Bonds6

About 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(5-bromo-2-morpholin-4-ylphenyl)acetamide

2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(5-bromo-2-morpholin-4-ylphenyl)acetamide (PubChem CID 112795869) has the molecular formula C23H23BrN4O4 and a molecular weight of 499.37 g/mol. Its IUPAC name is 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(5-bromo-2-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(5-bromo-2-morpholin-4-ylphenyl)acetamide
PubChem CID112795869
Molecular FormulaC23H23BrN4O4
Molecular Weight499.37 g/mol
Exact Mass498.09
IUPAC Name2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(5-bromo-2-morpholin-4-ylphenyl)acetamide
SMILESO=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)Nc1cc(Br)ccc1N1CCOCC1
InChIInChI=1S/C23H23BrN4O4/c24-18-6-7-20(26-10-12-32-13-11-26)19(14-18)25-21(29)16-28-22(30)8-9-27(23(28)31)15-17-4-2-1-3-5-17/h1-9,14H,10-13,15-16H2,(H,25,29)
InChIKeyODIXFSVGHJLGFA-UHFFFAOYSA-N
XLogP2.30
TPSA85.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.37
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(4-bromophenyl)acetamide
CID 9138324
N-(5-bromo-2-morpholin-4-ylphenyl)-2-cyanoacetamide
CID 86797592
N-(5-bromo-2-morpholin-4-ylphenyl)-2-(methylamino)acetamide
CID 119833776
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(2-fluoro-5-methylphenyl)acetamide
CID 17497149
N-(5-bromo-2-morpholin-4-ylphenyl)-2-(4-fluorophenyl)acetamide
CID 55363743
N-(5-bromo-2-morpholin-4-ylphenyl)-2-(3-methoxyphenyl)acetamide
CID 55363801
N-(5-bromo-2-morpholin-4-ylphenyl)-4-chlorobenzamide
CID 55363665
N-(5-bromo-2-morpholin-4-ylphenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55407073
N-(5-bromo-2-morpholin-4-ylphenyl)-2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide
CID 55520553
3-benzyl-1-[(3-bromophenyl)methyl]pyrimidine-2,4-dione
CID 166190063
N-(5-benzoyl-2-morpholin-4-ylphenyl)-2-phenylacetamide
CID 2204318
N-(5-bromo-2-morpholin-4-ylphenyl)-2-pyrrolidin-2-ylacetamide
CID 119833790

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(5-bromo-2-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(5-bromo-2-morpholin-4-ylphenyl)acetamide (CID 112795869) is 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(5-bromo-2-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(5-bromo-2-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(5-bromo-2-morpholin-4-ylphenyl)acetamide is O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)Nc1cc(Br)ccc1N1CCOCC1.
What is the InChIKey of 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(5-bromo-2-morpholin-4-ylphenyl)acetamide?
The InChIKey is ODIXFSVGHJLGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrN4O4/c24-18-6-7-20(26-10-12-32-13-11-26)19(14-18)25-21(29)16-28-22(30)8-9-27(23(28)31)15-17-4-2-1-3-5-17/h1-9,14H,10-13,15-16H2,(H,25,29).
What are the key properties of 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(5-bromo-2-morpholin-4-ylphenyl)acetamide?
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(5-bromo-2-morpholin-4-ylphenyl)acetamide has a molecular weight of 499.37 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(5-bromo-2-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 112795869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).