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4-[3-(2,5-Difluorobenzamidyl)benzoyl]-1-methylpiperidine

HCID 69355052
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CN1CCC(C(=O)c2cccc(NC(=O)c3cc(F)ccc3F)c2)CC1
InChIKey
XVVBYVHFDJBNQJ-UHFFFAOYSA-N
Molecular formula
C20H20F2N2O2
Average molar mass
358.4 g/mol

Names & identifiers

Preferred name
4-[3-(2,5-Difluorobenzamidyl)benzoyl]-1-methylpiperidine
IUPAC
2,5-difluoro-N-[3-(1-methylpiperidine-4-carbonyl)phenyl]benzamide

Names & synonyms

SCHEMBL5213316XVVBYVHFDJBNQJ-UHFFFAOYSA-N4-[3-(2,5-difluorobenzamidyl)benzoyl]-1-methylpiperidine

Database identifiers

PubChem CID
69355052

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
49.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
26
Formal charge
0
Complexity
508

Related reactions

2 records
New reaction record
HRID 202493 reaction equation
HRID 202493As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 1836388 reaction equation
HRID 1836388As productuspto-grants-2004_08

Compound notes

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