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N-[3-(3-Bromo-propoxy)-phenyl]-acetamide

HCID 6420330
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CC(=O)Nc1cccc(OCCCBr)c1
InChIKey
ZPRJBJSYQFALTK-UHFFFAOYSA-N
Molecular formula
C11H14BrNO2
Average molar mass
272.14 g/mol

Names & identifiers

Preferred name
N-[3-(3-Bromo-propoxy)-phenyl]-acetamide
IUPAC
N-[3-(3-bromopropoxy)phenyl]acetamide

Names & synonyms

N-[3-(3-Bromo-propoxy)-phenyl]-acetamideN-[3-(3-bromopropoxy)phenyl]acetamideSCHEMBL15459483-(3-acetamidophenoxy)propyl bromide

Database identifiers

PubChem CID
6420330

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
38.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
5
Heavy atoms
15
Formal charge
0
Complexity
199

Related reactions

140 records
New reaction record
HRID 55605 reaction equation
HRID 55605As productuspto-grants-1997_04
HRID 55606 reaction equation
HRID 55606As reactantuspto-grants-1997_04
HRID 107389 reaction equation
HRID 107389As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 233169 reaction equation
HRID 233169As productuspto-grants-1997_01
HRID 233856 reaction equation
HRID 233856As productuspto-grants-1997_01
HRID 235397 reaction equation
HRID 235397As productuspto-grants-1997_01
HRID 235398 reaction equation
HRID 235398As reactantuspto-grants-1997_01
HRID 264174 reaction equation
HRID 264174As productuspto-grants-1997_07
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Compound notes

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