2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanamide

HCID 3632340

Notes Reactions

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Basic information

CAS: 7141-11-9
Standard SMILES: NC(=O)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O
InChIKey: QGLQAPPNLSDXHB-UHFFFAOYSA-N
Molecular formula: C17H14N2O3
Average molar mass: 294.3 g/mol
Monoisotopic mass: 294.10044231

Names & identifiers

Preferred name: 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanamide
IUPAC: 2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide

Names & synonyms

2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanamideOprea1_011364MLS001007858SCHEMBL5506018CHEMBL1466744QGLQAPPNLSDXHB-UHFFFAOYSA-N2-phthalimido-3-phenylpropionamideHMS1775G09HMS2717K22AKOS001084299AKOS016050551SMR000352760

Show more names

AE-848/32003050SR-01000060122SR-01000060122-1Z33546161

Database identifiers

CAS: 7141-11-9
PubChem CID: 3632340
ChEMBL: CHEMBL1466744
EC Number: 123-307-2

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 80.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 22
Formal charge: 0
Complexity: 447

Related reactions

8 records

New reaction record

HRID 673574As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1217563As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1417369As productuspto-grants-1999_03

HRID 1421291As productuspto-grants-2000_06

HRID 1451841As productuspto-grants-1997_02

HRID 1531854As productuspto-grants-2001_03

HRID 1940057As productuspto-grants-1997_12

HRID 2211250As productuspto-grants-1995_10

Compound notes

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