2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-phenylacetamide

C12H9BrClN3O2 — CID 114583395

IUPAC2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-phenylacetamide
SMILESO=C(Cn1cnc(Cl)c(Br)c1=O)Nc1ccccc1
InChIInChI=1S/C12H9BrClN3O2/c13-10-11(14)15-7-17(12(10)19)6-9(18)16-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,16,18)
InChIKeyOCMUKBHOQLCAOZ-UHFFFAOYSA-N
MW342.58 g/mol
LogP2.30
Rot. Bonds3

About 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-phenylacetamide

2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-phenylacetamide (PubChem CID 114583395) has the molecular formula C12H9BrClN3O2 and a molecular weight of 342.58 g/mol. Its IUPAC name is 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-phenylacetamide.

Molecular Properties

Compound Name2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-phenylacetamide
PubChem CID114583395
Molecular FormulaC12H9BrClN3O2
Molecular Weight342.58 g/mol
Exact Mass340.96
IUPAC Name2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-phenylacetamide
SMILESO=C(Cn1cnc(Cl)c(Br)c1=O)Nc1ccccc1
InChIInChI=1S/C12H9BrClN3O2/c13-10-11(14)15-7-17(12(10)19)6-9(18)16-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,16,18)
InChIKeyOCMUKBHOQLCAOZ-UHFFFAOYSA-N
XLogP2.30
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.58
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-(2-chlorophenyl)acetamide
CID 114583560
N-(3-bromophenyl)-2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)acetamide
CID 114584162
2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-(4-bromophenyl)acetamide
CID 66308143
2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-cyclopentylacetamide
CID 114583697
2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 114583609
N-(4-bromophenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 988636
2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide
CID 114583334
2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-(3-fluorophenyl)acetamide
CID 114584066
2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)acetamide
CID 114583701
2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(4-fluorophenyl)acetamide
CID 114585167
2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 55527065
2-(11,13-dimethyl-6-oxo-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-5-yl)-N-phenylacetamide
CID 40683074

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-phenylacetamide?
The IUPAC name of 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-phenylacetamide (CID 114583395) is 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-phenylacetamide.
What is the SMILES notation for 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-phenylacetamide?
The canonical SMILES for 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-phenylacetamide is O=C(Cn1cnc(Cl)c(Br)c1=O)Nc1ccccc1.
What is the InChIKey of 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-phenylacetamide?
The InChIKey is OCMUKBHOQLCAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClN3O2/c13-10-11(14)15-7-17(12(10)19)6-9(18)16-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,16,18).
What are the key properties of 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-phenylacetamide?
2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-phenylacetamide has a molecular weight of 342.58 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-phenylacetamide is sourced from PubChem (CID 114583395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).