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N-[3-(6-chloro-3-pyridazinyl)phenyl]propanamide

HCID 14280296
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Basic information

Standard SMILES
CCC(=O)Nc1cccc(-c2ccc(Cl)nn2)c1
InChIKey
SLZHHAVXSGGVSD-UHFFFAOYSA-N
Molecular formula
C13H12ClN3O
Average molar mass
261.7 g/mol

Names & identifiers

Preferred name
N-[3-(6-chloro-3-pyridazinyl)phenyl]propanamide
IUPAC
N-[3-(6-chloropyridazin-3-yl)phenyl]propanamide

Names & synonyms

SCHEMBL10389326SLZHHAVXSGGVSD-UHFFFAOYSA-NN-[3-(6-chloro-3-pyridazinyl)phenyl]propanamideN-[3-(6-Chloro-3-pyridazinyl)phenyl]propionamide

Database identifiers

PubChem CID
14280296

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
54.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
18
Formal charge
0
Complexity
287

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Related reactions

3 records
New reaction record
HRID 35628 reaction equation
HRID 35628As productuspto-grants-1988_08
HRID 153960 reaction equation
HRID 153960As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 1906797 reaction equation
HRID 1906797As productuspto-grants-1987_03

Compound notes

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