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Flecainide

C17H20F6N2O3 — CID 3356

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Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-(piperidin-2-ylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide
SMILESO=C(NCC1CCCCN1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F
InChIInChI=1S/C17H20F6N2O3/c18-16(19,20)9-27-12-4-5-14(28-10-17(21,22)23)13(7-12)15(26)25-8-11-3-1-2-6-24-11/h4-5,7,11,24H,1-3,6,8-10H2,(H,25,26)
InChIKeyDJBNUMBKLMJRSA-UHFFFAOYSA-N
MW414.35 g/mol
LogP3.44
Rot. Bonds7

About Flecainide

Flecainide (PubChem CID 3356) has the molecular formula C17H20F6N2O3 and a molecular weight of 414.35 g/mol. Its IUPAC name is N-(piperidin-2-ylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide.

Molecular Properties

Compound NameFlecainide
PubChem CID3356
Molecular FormulaC17H20F6N2O3
Molecular Weight414.35 g/mol
Exact Mass414.14
IUPAC NameN-(piperidin-2-ylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide
SMILESO=C(NCC1CCCCN1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F
InChIInChI=1S/C17H20F6N2O3/c18-16(19,20)9-27-12-4-5-14(28-10-17(21,22)23)13(7-12)15(26)25-8-11-3-1-2-6-24-11/h4-5,7,11,24H,1-3,6,8-10H2,(H,25,26)
InChIKeyDJBNUMBKLMJRSA-UHFFFAOYSA-N
XLogP3.44
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.35
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

R-(-)-Flecainide
CID 6603850
2-{[4-Fluoro-3-(piperazin-1-ylcarbonyl)phenyl]methoxy}benzamide
CID 25218486
2-{2-[3-(Piperazin-1-ylcarbonyl)phenyl]ethoxy}benzamide
CID 25218489
5-Fluoro-2-{[4-fluoro-3-(piperazin-1-ylcarbonyl)phenyl]methoxy}benzamide
CID 25218495
(S)-Flecainide
CID 6604414
4,5-Difluoro-2-{[4-fluoro-3-(piperazin-1-ylcarbonyl)phenyl]methoxy}benzamide
CID 25218496
4-Fluoro-2-{[4-fluoro-3-(piperazin-1-ylcarbonyl)phenyl]methoxy}benzamide
CID 25218497

Frequently Asked Questions

What is the IUPAC name of Flecainide?
The IUPAC name of Flecainide (CID 3356) is N-(piperidin-2-ylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide.
What is the SMILES notation for Flecainide?
The canonical SMILES for Flecainide is O=C(NCC1CCCCN1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F.
What is the InChIKey of Flecainide?
The InChIKey is DJBNUMBKLMJRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F6N2O3/c18-16(19,20)9-27-12-4-5-14(28-10-17(21,22)23)13(7-12)15(26)25-8-11-3-1-2-6-24-11/h4-5,7,11,24H,1-3,6,8-10H2,(H,25,26).
What are the key properties of Flecainide?
Flecainide has a molecular weight of 414.35 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Flecainide is sourced from PubChem (CID 3356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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