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1-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-N-methyl-5-oxo-2H-pyrrole-3-carboxamide

HCID 54698193
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C1=C(O)C(=O)N(C2CC2)C1
InChIKey
VNPSFMDAFDFZJA-UHFFFAOYSA-N
Molecular formula
C16H16Cl2N2O3
Average molar mass
355.2 g/mol
Monoisotopic mass
354.0537978

Names & identifiers

Preferred name
1-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-N-methyl-5-oxo-2H-pyrrole-3-carboxamide
IUPAC
1-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-N-methyl-5-oxo-2H-pyrrole-3-carboxamide

Names & synonyms

VNPSFMDAFDFZJA-UHFFFAOYSA-N1-Cyclopropyl-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxylic acid (3,4-dichloro-benzyl)-methyl-amide1-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-N-methyl-5-oxo-2H-pyrrole-3-carboxamide1H-Pyrrole-3-carboxamide, 1-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2,5-dihydro-4-hydroxy-N-methyl-5-oxo-

Database identifiers

PubChem CID
54698193

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
60.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
23
Formal charge
0
Complexity
547

Related reactions

2 records
New reaction record
HRID 167600 reaction equation
HRID 167600As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 2214513 reaction equation
HRID 2214513As productuspto-grants-2006_09

Compound notes

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