2-(4-fluorophenoxy)-N-(2-oxopiperidin-4-yl)-4-(1,1,2,2,2-pentafluoroethyl)benzamide

C20H16F6N2O3 — CID 112500143

IUPAC2-(4-fluorophenoxy)-N-(2-oxopiperidin-4-yl)-4-(1,1,2,2,2-pentafluoroethyl)benzamide
SMILESO=C1CC(NC(=O)c2ccc(C(F)(F)C(F)(F)F)cc2Oc2ccc(F)cc2)CCN1
InChIInChI=1S/C20H16F6N2O3/c21-12-2-4-14(5-3-12)31-16-9-11(19(22,23)20(24,25)26)1-6-15(16)18(30)28-13-7-8-27-17(29)10-13/h1-6,9,13H,7-8,10H2,(H,27,29)(H,28,30)
InChIKeyHICOVVDCVGBDGI-UHFFFAOYSA-N
MW446.35 g/mol
LogP4.28
Rot. Bonds5

About 2-(4-fluorophenoxy)-N-(2-oxopiperidin-4-yl)-4-(1,1,2,2,2-pentafluoroethyl)benzamide

2-(4-fluorophenoxy)-N-(2-oxopiperidin-4-yl)-4-(1,1,2,2,2-pentafluoroethyl)benzamide (PubChem CID 112500143) has the molecular formula C20H16F6N2O3 and a molecular weight of 446.35 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-(2-oxopiperidin-4-yl)-4-(1,1,2,2,2-pentafluoroethyl)benzamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-(2-oxopiperidin-4-yl)-4-(1,1,2,2,2-pentafluoroethyl)benzamide
PubChem CID112500143
Molecular FormulaC20H16F6N2O3
Molecular Weight446.35 g/mol
Exact Mass446.11
IUPAC Name2-(4-fluorophenoxy)-N-(2-oxopiperidin-4-yl)-4-(1,1,2,2,2-pentafluoroethyl)benzamide
SMILESO=C1CC(NC(=O)c2ccc(C(F)(F)C(F)(F)F)cc2Oc2ccc(F)cc2)CCN1
InChIInChI=1S/C20H16F6N2O3/c21-12-2-4-14(5-3-12)31-16-9-11(19(22,23)20(24,25)26)1-6-15(16)18(30)28-13-7-8-27-17(29)10-13/h1-6,9,13H,7-8,10H2,(H,27,29)(H,28,30)
InChIKeyHICOVVDCVGBDGI-UHFFFAOYSA-N
XLogP4.28
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.35
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

Flecainide
CID 3356
(4-(2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzamido)-2-oxopyridin-1(2H)-yl)methyl dihydrogen phosphate
CID 118126601
R-(-)-Flecainide
CID 6603850
2,3-Dimethoxy-N-(1-(4-fluorobenzyl)piperidin-4-yl)benzamide
CID 134002
N-[3-(dimethylamino)propyl]-2-phenoxybenzamide
CID 1928169
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
4-(Spiro[chromene-2,4''-piperidine]-4-yl)benzamide
CID 44254503
GT-0198
CID 71584823
N,N-Diethyl-2-hydroxy-4-(spiro[chromene-2,4''-piperidine]-4-yl)benzamide
CID 11406708
7-fluoro-4-oxo-N-(1-((2-oxo-2H-chromen-7-yl)methyl)piperidin-4-yl)-4H-chromene-2-carboxamide
CID 11583193

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-(2-oxopiperidin-4-yl)-4-(1,1,2,2,2-pentafluoroethyl)benzamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-(2-oxopiperidin-4-yl)-4-(1,1,2,2,2-pentafluoroethyl)benzamide (CID 112500143) is 2-(4-fluorophenoxy)-N-(2-oxopiperidin-4-yl)-4-(1,1,2,2,2-pentafluoroethyl)benzamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-(2-oxopiperidin-4-yl)-4-(1,1,2,2,2-pentafluoroethyl)benzamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-(2-oxopiperidin-4-yl)-4-(1,1,2,2,2-pentafluoroethyl)benzamide is O=C1CC(NC(=O)c2ccc(C(F)(F)C(F)(F)F)cc2Oc2ccc(F)cc2)CCN1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-(2-oxopiperidin-4-yl)-4-(1,1,2,2,2-pentafluoroethyl)benzamide?
The InChIKey is HICOVVDCVGBDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F6N2O3/c21-12-2-4-14(5-3-12)31-16-9-11(19(22,23)20(24,25)26)1-6-15(16)18(30)28-13-7-8-27-17(29)10-13/h1-6,9,13H,7-8,10H2,(H,27,29)(H,28,30).
What are the key properties of 2-(4-fluorophenoxy)-N-(2-oxopiperidin-4-yl)-4-(1,1,2,2,2-pentafluoroethyl)benzamide?
2-(4-fluorophenoxy)-N-(2-oxopiperidin-4-yl)-4-(1,1,2,2,2-pentafluoroethyl)benzamide has a molecular weight of 446.35 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-(2-oxopiperidin-4-yl)-4-(1,1,2,2,2-pentafluoroethyl)benzamide is sourced from PubChem (CID 112500143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).