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N-(4-chloro-2-fluoro-3-(hydroxymethyl)phenyl)acetamide

HCID 86713625
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(=O)Nc1ccc(Cl)c(CO)c1F
InChIKey
VXNJSTPAWKGHQG-UHFFFAOYSA-N
Molecular formula
C9H9ClFNO2
Average molar mass
217.62 g/mol
Monoisotopic mass
217.0305844

Names & identifiers

Preferred name
N-(4-chloro-2-fluoro-3-(hydroxymethyl)phenyl)acetamide
IUPAC
N-[4-chloro-2-fluoro-3-(hydroxymethyl)phenyl]acetamide

Names & synonyms

SCHEMBL15000245VXNJSTPAWKGHQG-UHFFFAOYSA-NN-(4-chloro-2-fluoro-3-(hydroxymethyl)phenyl)acetamide

Database identifiers

PubChem CID
86713625

Properties

Computed structural properties

XLogP
0.9
Topological polar surface area
49.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
14
Formal charge
0
Complexity
215

Related reactions

6 records
New reaction record
HRID 119203 reaction equation
HRID 119203As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 936750 reaction equation
HRID 936750As productValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1257162 reaction equation
HRID 1257162As productuspto-grants-2013_06
HRID 1257163 reaction equation
HRID 1257163As reactantuspto-grants-2013_06
HRID 1430448 reaction equation
HRID 1430448As productuspto-grants-2015_01
HRID 1430449 reaction equation
HRID 1430449As reactantuspto-grants-2015_01

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes