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2-bromo-N-[4-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]-2-[(3-chlorophenyl)hydroxymethyl]phenyl]-acetamide

HCID 69019515
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(CBr)Nc1ccc(C2(c3ccc(Cl)cc3)OCCO2)cc1C(O)c1cccc(Cl)c1
InChIKey
OGEOWEMPTHJXNM-UHFFFAOYSA-N
Molecular formula
C24H20BrCl2NO4
Average molar mass
537.2 g/mol

Names & identifiers

Preferred name
2-bromo-N-[4-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]-2-[(3-chlorophenyl)hydroxymethyl]phenyl]-acetamide
IUPAC
2-bromo-N-[4-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]-2-[(3-chlorophenyl)-hydroxymethyl]phenyl]acetamide

Names & synonyms

SCHEMBL4371159OGEOWEMPTHJXNM-UHFFFAOYSA-N2-bromo-N-[4-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]-2-[(3-chlorophenyl)hydroxymethyl]phenyl]-acetamide

Database identifiers

PubChem CID
69019515

Properties

Computed structural properties

XLogP
5.4
Topological polar surface area
67.8 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
32
Formal charge
0
Complexity
627

Related reactions

4 records
New reaction record
HRID 860784 reaction equation
HRID 860784As productuspto-grants-2006_12
HRID 860785 reaction equation
HRID 860785As reactantuspto-grants-2006_12
HRID 1223347 reaction equation
HRID 1223347As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 2157508 reaction equation
HRID 2157508As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes