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2-Chloro-N-(3-trifluoromethyl-benzyl)-acetamide

HCID 21277832
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(CCl)NCc1cccc(C(F)(F)F)c1
InChIKey
AFWJINGUGZLWCH-UHFFFAOYSA-N
Molecular formula
C10H9ClF3NO
Average molar mass
251.63 g/mol

Names & identifiers

Preferred name
2-Chloro-N-(3-trifluoromethyl-benzyl)-acetamide
IUPAC
2-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide

Names & synonyms

101824-35-52-Chloro-N-(3-trifluoromethyl-benzyl)-acetamide2-Chloro-N-(3-(trifluoromethyl)benzyl)acetamide2-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide2-CHLORO-N-{[3-(TRIFLUOROMETHYL)PHENYL]METHYL}ACETAMIDESCHEMBL4501943AKOS000179346DB-227831F086219N-[(3-trifluoromethylphenyl)methyl]-chloroacetamide2-chloro-N-[3-(trifluoromethyl)phenylmethyl]-acetamideZ147648034

Database identifiers

PubChem CID
21277832

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
29.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
16
Formal charge
0
Complexity
245

Related reactions

5 records
New reaction record
HRID 660928 reaction equation
HRID 660928As reactantuspto-grants-2011_12
HRID 660929 reaction equation
HRID 660929As reactantuspto-grants-2011_12
HRID 1234692 reaction equation
HRID 1234692As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 2292001 reaction equation
HRID 2292001As reactantuspto-grants-1989_01
HRID 2330823 reaction equation
HRID 2330823As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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