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N-[1-(5-bromo-2-pyridinyl)ethyl]-2-(4-propan-2-ylphenyl)acetamide

HCID 91053079
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)c1ccc(CC(=O)NC(C)c2ccc(Br)cn2)cc1
InChIKey
HQKONDIGSRUFFV-UHFFFAOYSA-N
Molecular formula
C18H21BrN2O
Average molar mass
361.3 g/mol
Monoisotopic mass
360.08373

Names & identifiers

Preferred name
N-[1-(5-bromo-2-pyridinyl)ethyl]-2-(4-propan-2-ylphenyl)acetamide
IUPAC
N-[1-(5-bromo-2-pyridinyl)ethyl]-2-(4-propan-2-ylphenyl)acetamide

Database identifiers

PubChem CID
91053079

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
42 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
5
Heavy atoms
22
Formal charge
0
Complexity
353

Related reactions

3 records
New reaction record
HRID 292086 reaction equation
HRID 292086As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 696836 reaction equation
HRID 696836As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 934947 reaction equation
HRID 934947As reactantValidation data from https://doi.org/10.1039/C8SC04228D

Compound notes

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