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N-(4-Chlorophenoxyethyl)-3-(2-methoxyphenyl)propanamide

HCID 21055042
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccccc1CCC(=O)NCCOc1ccc(Cl)cc1
InChIKey
VDUYFXNLZZVEQG-UHFFFAOYSA-N
Molecular formula
C18H20ClNO3
Average molar mass
333.8 g/mol

Names & identifiers

Preferred name
N-(4-Chlorophenoxyethyl)-3-(2-methoxyphenyl)propanamide
IUPAC
N-[2-(4-chlorophenoxy)ethyl]-3-(2-methoxyphenyl)propanamide

Names & synonyms

SCHEMBL1010851VDUYFXNLZZVEQG-UHFFFAOYSA-NN-(4-Chlorophenoxyethyl)-3-(2-methoxyphenyl)propanamide

Database identifiers

PubChem CID
21055042

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
47.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
8
Heavy atoms
23
Formal charge
0
Complexity
345

Related reactions

6 records
New reaction record
HRID 303186 reaction equation
HRID 303186As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 350830 reaction equation
HRID 350830As productuspto-grants-2007_02
HRID 350831 reaction equation
HRID 350831As reactantuspto-grants-2007_02
HRID 663424 reaction equation
HRID 663424As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 2215175 reaction equation
HRID 2215175As productuspto-grants-2006_09
HRID 2215176 reaction equation
HRID 2215176As reactantuspto-grants-2006_09

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes