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2,2,2-Trichloro-N-(quinolin-8-YL)acetamide

HCID 2797482
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
33757-45-8
Standard SMILES
O=C(Nc1cccc2cccnc12)C(Cl)(Cl)Cl
InChIKey
FLIMXHHCNLPSEG-UHFFFAOYSA-N
Molecular formula
C11H7Cl3N2O
Average molar mass
289.5 g/mol
Monoisotopic mass
287.96239588

Names & identifiers

Preferred name
2,2,2-Trichloro-N-(quinolin-8-YL)acetamide
IUPAC
2,2,2-trichloro-N-quinolin-8-ylacetamide

Names & synonyms

33757-45-82,2,2-TRICHLORO-N-(QUINOLIN-8-YL)ACETAMIDEN1-(8-quinolyl)-2,2,2-trichloroacetamide2,2,2-trichloro-N-quinolin-8-ylacetamideMaybridge1_000862SCHEMBL1982042CHEMBL1887932HMS543P04FLIMXHHCNLPSEG-UHFFFAOYSA-NDTXSID801281017CCG-233963MB00939
Show more names
NCGC00161773-012,2,2-Trichloro-N-8-quinolinylacetamide2,2,2-Trichloro-N-quinolin-8-yl-acetamideCU-00000000174-1

Database identifiers

CAS
33757-45-8
PubChem CID
2797482
DTXSID
DTXSID801281017
ChEMBL
CHEMBL1887932

Properties

Computed structural propertiesFilling in

XLogP
3.8
Topological polar surface area
42 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
17
Formal charge
0
Complexity
293

Related reactions

6 records
New reaction record
HRID 185359 reaction equation
HRID 185359As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 682578 reaction equation
HRID 682578As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1158789 reaction equation
HRID 1158789As productuspto-grants-2010_10
HRID 1158790 reaction equation
HRID 1158790As reactantuspto-grants-2010_10
HRID 2092149 reaction equation
HRID 2092149As productuspto-grants-2013_05
HRID 2092150 reaction equation
HRID 2092150As reactantuspto-grants-2013_05

Compound notes

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