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N-(2-bromo-4,5-dimethoxyphenyl)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide

HCID 75214946
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Basic information

Standard SMILES
COc1cc(Br)c(NC(=O)N2C=CC(=O)CC2c2ccc(F)cc2)cc1OC
InChIKey
GPPBDRUBCOWLIV-UHFFFAOYSA-N
Molecular formula
C20H18BrFN2O4
Average molar mass
449.3 g/mol

Names & identifiers

Preferred name
N-(2-bromo-4,5-dimethoxyphenyl)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide
IUPAC
N-(2-bromo-4,5-dimethoxyphenyl)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide

Database identifiers

PubChem CID
75214946

Properties

Computed structural properties

XLogP
3
Topological polar surface area
67.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
28
Formal charge
0
Complexity
597

Related reactions

1 records
New reaction record
HRID 1240250 reaction equation
HRID 1240250As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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