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2-chloro-N-[4-[1-(dimethylamino)ethylideneamino]phenyl]acetamide

HCID 21392875
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CC(=Nc1ccc(NC(=O)CCl)cc1)N(C)C
InChIKey
UJXADRYBBUTGAC-UHFFFAOYSA-N
Molecular formula
C12H16ClN3O
Average molar mass
253.73 g/mol

Names & identifiers

Preferred name
2-chloro-N-[4-[1-(dimethylamino)ethylideneamino]phenyl]acetamide
IUPAC
2-chloro-N-[4-[1-(dimethylamino)ethylideneamino]phenyl]acetamide

Names & synonyms

SCHEMBL11755522SCHEMBL11755526

Database identifiers

PubChem CID
21392875

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
44.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
17
Formal charge
0
Complexity
283

Related reactions

1 records
New reaction record
HRID 1568392 reaction equation
HRID 1568392As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes