N-(2-bromophenyl)-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetamide

C13H11BrIN3O2 — CID 66342718

IUPACN-(2-bromophenyl)-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetamide
SMILESCc1ncc(I)c(=O)n1CC(=O)Nc1ccccc1Br
InChIInChI=1S/C13H11BrIN3O2/c1-8-16-6-10(15)13(20)18(8)7-12(19)17-11-5-3-2-4-9(11)14/h2-6H,7H2,1H3,(H,17,19)
InChIKeyQDBZHWZQFGUHJE-UHFFFAOYSA-N
MW448.06 g/mol
LogP2.56
Rot. Bonds3

About N-(2-bromophenyl)-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetamide

N-(2-bromophenyl)-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetamide (PubChem CID 66342718) has the molecular formula C13H11BrIN3O2 and a molecular weight of 448.06 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetamide
PubChem CID66342718
Molecular FormulaC13H11BrIN3O2
Molecular Weight448.06 g/mol
Exact Mass446.91
IUPAC NameN-(2-bromophenyl)-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetamide
SMILESCc1ncc(I)c(=O)n1CC(=O)Nc1ccccc1Br
InChIInChI=1S/C13H11BrIN3O2/c1-8-16-6-10(15)13(20)18(8)7-12(19)17-11-5-3-2-4-9(11)14/h2-6H,7H2,1H3,(H,17,19)
InChIKeyQDBZHWZQFGUHJE-UHFFFAOYSA-N
XLogP2.56
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.06
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluorophenyl)-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetamide
CID 66340046
3-[2-(2-bromophenyl)-2-oxoethyl]-5-iodo-2-methylpyrimidin-4-one
CID 66342495
N-(2-bromophenyl)-2-(1-methyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide
CID 53061509
2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 66340688
2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)acetamide
CID 66339829
3-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-5-iodo-2-methylpyrimidin-4-one
CID 66340710
2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide
CID 66341596
N-(cyclopropylmethyl)-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetamide
CID 66341152
N-(2-bromophenyl)-2-(3-methyl-6-oxopyridazin-1-yl)acetamide
CID 50946792
2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-ethylacetamide
CID 66310497
3-[2-(3,4-dimethylphenyl)-2-oxoethyl]-5-iodo-2-methylpyrimidin-4-one
CID 66341613
N-(2-bromophenyl)-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
CID 2098968

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(2-bromophenyl)-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetamide (CID 66342718) is N-(2-bromophenyl)-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetamide is Cc1ncc(I)c(=O)n1CC(=O)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetamide?
The InChIKey is QDBZHWZQFGUHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrIN3O2/c1-8-16-6-10(15)13(20)18(8)7-12(19)17-11-5-3-2-4-9(11)14/h2-6H,7H2,1H3,(H,17,19).
What are the key properties of N-(2-bromophenyl)-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetamide?
N-(2-bromophenyl)-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetamide has a molecular weight of 448.06 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 66342718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).