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2-[2-fluoro-5-(7-trifluoromethyl[1,8]naphthyridin-4-yl)phenoxy]-N,N-dimethylacetamide

HCID 10271871
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CN(C)C(=O)COc1cc(-c2ccnc3nc(C(F)(F)F)ccc23)ccc1F
InChIKey
MHZIIVYKTJVXFM-UHFFFAOYSA-N
Molecular formula
C19H15F4N3O2
Average molar mass
393.3 g/mol
Monoisotopic mass
393.11003938

Names & identifiers

Preferred name
2-[2-fluoro-5-(7-trifluoromethyl[1,8]naphthyridin-4-yl)phenoxy]-N,N-dimethylacetamide
IUPAC
2-[2-fluoro-5-[7-(trifluoromethyl)-1,8-naphthyridin-4-yl]phenoxy]-N,N-dimethylacetamide

Names & synonyms

2-[2-fluoro-5-(7-trifluoromethyl[1,8]naphthyridin-4-yl)phenoxy]-N,N-dimethylacetamideSCHEMBL6474020

Database identifiers

PubChem CID
10271871

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
55.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
4
Heavy atoms
28
Formal charge
0
Complexity
546

Related reactions

2 records
New reaction record
HRID 173198 reaction equation
HRID 173198As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 1061834 reaction equation
HRID 1061834As productuspto-grants-2005_11

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes