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N-(4-methoxy-2-methylphenyl)isoindoline-2-carboxamide

HCID 57527872
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccc(NC(=O)N2Cc3ccccc3C2)c(C)c1
InChIKey
VRTFGUHRKNPEBW-UHFFFAOYSA-N
Molecular formula
C17H18N2O2
Average molar mass
282.34 g/mol

Names & identifiers

Preferred name
N-(4-methoxy-2-methylphenyl)isoindoline-2-carboxamide
IUPAC
N-(4-methoxy-2-methylphenyl)-1,3-dihydroisoindole-2-carboxamide

Names & synonyms

SCHEMBL701754VRTFGUHRKNPEBW-UHFFFAOYSA-NN-(4-methoxy-2-methylphenyl)isoindoline-2-carboxamide

Database identifiers

PubChem CID
57527872

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
41.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
21
Formal charge
0
Complexity
360

Related reactions

4 records
New reaction record
HRID 339418 reaction equation
HRID 339418As productuspto-grants-2014_11
HRID 1135852 reaction equation
HRID 1135852As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1453521 reaction equation
HRID 1453521As productuspto-grants-2009_01
HRID 1644122 reaction equation
HRID 1644122As productuspto-grants-2012_02

Compound notes

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