2-bromo-N-(6-chloro-2-phenylpyrimidin-4-yl)acetamide

HCID 22379151

Notes Reactions

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Basic information

Standard SMILES: O=C(CBr)Nc1cc(Cl)nc(-c2ccccc2)n1
InChIKey: HGSUKQLQCSYGJV-UHFFFAOYSA-N
Molecular formula: C12H9BrClN3O
Average molar mass: 326.57 g/mol

Names & identifiers

Preferred name: 2-bromo-N-(6-chloro-2-phenylpyrimidin-4-yl)acetamide
IUPAC: 2-bromo-N-(6-chloro-2-phenylpyrimidin-4-yl)acetamide

Names & synonyms

SCHEMBL3163367HGSUKQLQCSYGJV-UHFFFAOYSA-N2-bromo-N-(6-chloro-2-phenylpyrimidin-4-yl)acetamide

Database identifiers

PubChem CID: 22379151

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 54.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 18
Formal charge: 0
Complexity: 286

Related reactions

11 records

New reaction record

HRID 107375As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 675915As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 895475As productuspto-grants-2005_07

HRID 895476As reactantuspto-grants-2005_07

HRID 895477As reactantuspto-grants-2005_07

HRID 895478As reactantuspto-grants-2005_07

HRID 943393As productValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1783328As productuspto-grants-2009_03

Compound notes

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