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N-(4-chloro-3-(cyanomethyl)-2-fluorophenyl)acetamide

HCID 86713627
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(=O)Nc1ccc(Cl)c(CC#N)c1F
InChIKey
XYAVGYUFZWRXRS-UHFFFAOYSA-N
Molecular formula
C10H8ClFN2O
Average molar mass
226.63 g/mol

Names & identifiers

Preferred name
N-(4-chloro-3-(cyanomethyl)-2-fluorophenyl)acetamide
IUPAC
N-[4-chloro-3-(cyanomethyl)-2-fluorophenyl]acetamide

Names & synonyms

SCHEMBL14999988XYAVGYUFZWRXRS-UHFFFAOYSA-NN-(4-chloro-3-(cyanomethyl)-2-fluorophenyl)acetamide

Database identifiers

PubChem CID
86713627

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
52.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
15
Formal charge
0
Complexity
288

Related reactions

3 records
New reaction record
HRID 820780 reaction equation
HRID 820780As productTest data from https://doi.org/10.1039/C8SC04228D
HRID 1257164 reaction equation
HRID 1257164As productuspto-grants-2013_06
HRID 1430450 reaction equation
HRID 1430450As productuspto-grants-2015_01

Compound notes

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