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N-[4-(2-Chloro-ethyl)-2-methyl-phenyl]-N-ethyl-acetamide

HCID 21963286
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCN(C(C)=O)c1ccc(CCCl)cc1C
InChIKey
BZYCBQJAPMGSID-UHFFFAOYSA-N
Molecular formula
C13H18ClNO
Average molar mass
239.74 g/mol

Names & identifiers

Preferred name
N-[4-(2-Chloro-ethyl)-2-methyl-phenyl]-N-ethyl-acetamide
IUPAC
N-[4-(2-chloroethyl)-2-methylphenyl]-N-ethylacetamide

Names & synonyms

SCHEMBL6104622BZYCBQJAPMGSID-UHFFFAOYSA-NN-[4-(2-Chloro-ethyl)-2-methyl-phenyl]-N-ethyl-acetamide

Database identifiers

PubChem CID
21963286

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
20.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
4
Heavy atoms
16
Formal charge
0
Complexity
232

Related reactions

5 records
New reaction record
HRID 319974 reaction equation
HRID 319974As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 691993 reaction equation
HRID 691993As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 2211914 reaction equation
HRID 2211914As productuspto-grants-2006_09
HRID 2211915 reaction equation
HRID 2211915As reactantuspto-grants-2006_09
HRID 2332350 reaction equation
HRID 2332350As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes