Molecular Details

DICL_CP_0380631 - N-(piperidin-2-ylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide

Basic Molecular Information

Basic Information

DICL ID

DICL_CP_0380631

PubChem CID

3356

Molecular Formula

C₁₇H₂₀F₆N₂O₃

Molecular Weight

414.346 g/mol

Synonyms/Alias

[flecainide; 54143-55-4; Flecaine; N-(piperidin-2-ylmethyl)-2;5-bis(2;2;2-trifluoroethoxy)benzamide; Tambocor; Flecainida; Flecainidum; (+-)-Flecainide; Flecainidum [INN-Latin]; Flecainida [INN-Spanis...[flecainide; 54143-55-4; Flecaine; N-(piperidin-2-ylmethyl)-2;5-bis(2;2;2-trifluoroethoxy)benzamide; Tambocor; Flecainida; Flecainidum; (+-)-Flecainide; Flecainidum [INN-Latin]; Flecainida [INN-Spanish]; CCRIS 313; N-(2-Piperidinylmethyl)-2;5-bis(2;2;2-trifluoroethoxy)benzamide; Benzamide; N-(2-piperidinylmethyl)-2;5-bis(2;2;2-trifluoroethoxy)-; Flecainide (INN); NSC-719273; UNII-K94FTS1806; DTXSID8023054; CHEBI:75984; K94FTS1806; THN-102 COMPONENT FLECAINIDE; CHEMBL652; N-(2-Piperidylmethyl)-2;5-bis(2;2;2-trifluoroethoxy)benzamide; DTXCID403054; THN102 COMPONENT FLECAINIDE; MFCD00864713; NSC 719273; NCGC00015443-06; FLECAINIDE [INN]; Flecainidum (INN-Latin); N-[(piperidin-2-yl)methyl]-2;5-bis(2;2;2-trifluoroethoxy)benzamide; Flecainida (INN-Spanish); Flecainide [INN:BAN]; C17H20F6N2O3; CAS-54143-55-4; (+/-)-flecainide; NSC719273; FLECAINIDE [MI]; Prestwick0_000735; Prestwick1_000735; Prestwick2_000735; Prestwick3_000735; FLECAINIDE [VANDF]; FLECAINIDE [WHO-DD]; Lopac0_000546; SCHEMBL14970; BSPBio_000690; BSPBio_001317; KBioGR_000037; KBioSS_000037; SPBio_002629; BPBio1_000760; GTPL2560; BCBcMAP01_000189; KBio2_000037; KBio2_002605; KBio2_005173; KBio3_000073; KBio3_000074; C01BC04; Bio1_000375; Bio1_000864; Bio1_001353; Bio2_000037; Bio2_000517; HMS1791B19; HMS1989B19; HMS2089E17; BCP24373; Tox21_110151; BDBM50131434; N-(piperidin-2-ylmethyl)-2;5-bis[(2;2;2-trifluoroethyl)oxy]benzamide; NSC782306; AKOS015962192; Tox21_110151_1; CCG-204636; CS-W011666; DB01195; HY-W010950; NSC-782306; SB19141; IDI1_033787; SMP1_000074; NCGC00015443-04; NCGC00015443-05; NCGC00015443-07; NCGC00015443-08; NCGC00015443-10; NCGC00015443-11; NCGC00015443-12; NCGC00015443-13; NCGC00015443-14; NCGC00015443-15; NCGC00015443-17; NCGC00025175-03; NCGC00025175-04; NCGC00025175-05; NCGC00025175-06; AC-16019; AC-31101; AS-71745; SY269348; DB-052496; DB-230917; AB00513907; NS00010512; C07001; D07962; EN300-144572; F18100; AB00384356-13; A870533; Q421381; BRD-A09472452-001-02-8; BRD-A09472452-015-03-6; BRD-A09472452-015-11-9; 2;5-bis(2;2;2-trifluoroethoxy)-N-(2-piperidylmethyl)benzamide; 2;5-bis(2;2;2-trifluoroethoxy)-N-(2-piperidylmethyl)-benzamide; N-(2-Piperidinylmethyl)-2;5-bis(2;2;2-trifluoroethoxy)benzamide #; N-Piperidin-2-ylmethyl-2;5-bis-(2;2;2-trifluoro-ethoxy)-benzamide; N-Piperidin-2-ylmethyl-2;5-bis-(2;2;2-trifluoro-ethoxy)-benzamide (Flecainide); N-Piperidin-2-ylmethyl-2;5-bis-(2;2;2-trifluoro-ethoxy)-benzamide(Flecainide); N-Piperidin-2-ylmethyl-2;5-bis-(2;2;2-trifluoro-ethoxy)-benzamide(Flecanide)]

InChI Key

DJBNUMBKLMJRSA-UHFFFAOYSA-N

InChI

InChI=1S/C17H20F6N2O3/c18-16(19,20)9-27-12-4-5-14(28-10-17(21,22)23)13(7-12)15(26)25-8-11-3-1-2-6-24...

IUPAC Name

N-(piperidin-2-ylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide

CAS Number

N/A (Not available)

Structure Information

Chemical Structure Visualization

SMILES Notation

2D Molecular Drawing

Carbon (C)

Hydrogen (H)

Oxygen (O)

Nitrogen (N)

Sulfur (S)

SDF

48 49 0 0 0 0 0 0 0 0999 V2000
4.6275 -1.5611 0.5413 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5832 -0.8400 -0.4106 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7659 0.641...

Download SDF File (4074 bytes)

Experimental Data

Activity Data

Target Ion Channel

Voltage-gated potassium channel subfamily D member 2

Uniprot Accession Number

Q63881

Function

Blocker

Species

Rattus norvegicus (Rat)

IC₅₀

IC₅₀: 6500 nM

EC₅₀

N/A (Not available)

K_i

N/A (Not available)

K_d

N/A (Not available)

Inhibition

N/A (Not available)

Experimental Conditions

pH 7.4

Holding Potential

−80 to 60 mV mV

Temperature

Not mention

Test Method

Patch-clamping

Test Species

HEK293 cell (Homo sapiens embryonic kidney 293 cell)

Binding Information

Binding Site

Not specified

Binding Site Residue

Not specified

Disease Information

Related Disease

Not specified

References

DOI

10.1021/jm0604528

URL

N/A (Not available)

PMID

17506538

Patent

N/A (Not available)

Computed Properties

Heavy Atom Count

Rotatable Bonds

logP

3.4407

Complexity

87.5169

TPSA (Å²)

59.59

H-Bond Donors

H-Bond Acceptors

Ring Count

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