2-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-(4-chlorophenyl)acetamide

C12H9BrClN3O3 — CID 107104122

IUPAC2-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-(4-chlorophenyl)acetamide
SMILESO=C(Cn1c(=O)[nH]cc(Br)c1=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C12H9BrClN3O3/c13-9-5-15-12(20)17(11(9)19)6-10(18)16-8-3-1-7(14)2-4-8/h1-5H,6H2,(H,15,20)(H,16,18)
InChIKeyHVCCNGKGBSWLFN-UHFFFAOYSA-N
MW358.58 g/mol
LogP1.59
Rot. Bonds3

About 2-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-(4-chlorophenyl)acetamide

2-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-(4-chlorophenyl)acetamide (PubChem CID 107104122) has the molecular formula C12H9BrClN3O3 and a molecular weight of 358.58 g/mol. Its IUPAC name is 2-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-(4-chlorophenyl)acetamide
PubChem CID107104122
Molecular FormulaC12H9BrClN3O3
Molecular Weight358.58 g/mol
Exact Mass356.95
IUPAC Name2-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-(4-chlorophenyl)acetamide
SMILESO=C(Cn1c(=O)[nH]cc(Br)c1=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C12H9BrClN3O3/c13-9-5-15-12(20)17(11(9)19)6-10(18)16-8-3-1-7(14)2-4-8/h1-5H,6H2,(H,15,20)(H,16,18)
InChIKeyHVCCNGKGBSWLFN-UHFFFAOYSA-N
XLogP1.59
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.58
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-(2-chlorophenyl)acetamide
CID 107104201
2-(4-hydroxy-2-oxo-1H-imidazol-3-yl)-N-phenylacetamide
CID 123366324
N-(4-chlorophenyl)-2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetamide
CID 108795047
N-(4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 719174
2-(5-amino-2,4-dioxopyrimidin-1-yl)-N-(4-chlorophenyl)acetamide
CID 63800080
4-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-methylbutanamide
CID 107104246
N,N'-bis(4-chlorophenyl)-3-oxopentanediamide
CID 12654887
5-bromo-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione
CID 58122374
2-(7-chloro-4-oxoquinolin-1-yl)-N-(4-chlorophenyl)acetamide
CID 100738455
N-(4-chlorophenyl)-2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl]acetamide
CID 98304309
N-(4-chlorophenyl)-2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetamide
CID 98174099
N-(4-bromophenyl)-2-(6-chloro-4-oxoquinolin-1-yl)acetamide
CID 43833238

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-(4-chlorophenyl)acetamide?
The IUPAC name of 2-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-(4-chlorophenyl)acetamide (CID 107104122) is 2-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-(4-chlorophenyl)acetamide.
What is the SMILES notation for 2-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-(4-chlorophenyl)acetamide?
The canonical SMILES for 2-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-(4-chlorophenyl)acetamide is O=C(Cn1c(=O)[nH]cc(Br)c1=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 2-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-(4-chlorophenyl)acetamide?
The InChIKey is HVCCNGKGBSWLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClN3O3/c13-9-5-15-12(20)17(11(9)19)6-10(18)16-8-3-1-7(14)2-4-8/h1-5H,6H2,(H,15,20)(H,16,18).
What are the key properties of 2-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-(4-chlorophenyl)acetamide?
2-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-(4-chlorophenyl)acetamide has a molecular weight of 358.58 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-(4-chlorophenyl)acetamide is sourced from PubChem (CID 107104122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).