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N-[3-(1-{5-[4-(3,4-Difluorophenyl)-2-oxo-1,3-oxazolidin-3-YL]pentyl}-4-piperidinyl)phenyl]-2-methylpropanamide

HCID 22048765
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)C(=O)Nc1cccc(C2CCN(CCCCCN3C(=O)OCC3c3ccc(F)c(F)c3)CC2)c1
InChIKey
STPOQYKHTBGHHX-UHFFFAOYSA-N
Molecular formula
C29H37F2N3O3
Average molar mass
513.6 g/mol
Monoisotopic mass
513.28029837

Names & identifiers

Preferred name
N-[3-(1-{5-[4-(3,4-Difluorophenyl)-2-oxo-1,3-oxazolidin-3-YL]pentyl}-4-piperidinyl)phenyl]-2-methylpropanamide
IUPAC
N-[3-[1-[5-[4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]pentyl]piperidin-4-yl]phenyl]-2-methylpropanamide

Names & synonyms

SCHEMBL5662806STPOQYKHTBGHHX-UHFFFAOYSA-NN-[3-(1-{5-[4-(3,4-DIFLUOROPHENYL)-2-OXO-1,3-OXAZOLIDIN-3-YL]PENTYL}-4-PIPERIDINYL)PHENYL]-2-METHYLPROPANAMIDE

Database identifiers

PubChem CID
22048765

Properties

Computed structural properties

XLogP
5.2
Topological polar surface area
61.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
10
Heavy atoms
37
Formal charge
0
Complexity
746

Related reactions

4 records
New reaction record
HRID 157442 reaction equation
HRID 157442As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 674058 reaction equation
HRID 674058As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1832233 reaction equation
HRID 1832233As productuspto-grants-2006_06
HRID 2087226 reaction equation
HRID 2087226As productuspto-grants-2004_04

Compound notes

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