2-(4-fluorophenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide

C19H16F4N2O3 — CID 112500063

IUPAC2-(4-fluorophenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide
SMILESO=C1CC(NC(=O)c2ccc(C(F)(F)F)cc2Oc2ccc(F)cc2)CCN1
InChIInChI=1S/C19H16F4N2O3/c20-12-2-4-14(5-3-12)28-16-9-11(19(21,22)23)1-6-15(16)18(27)25-13-7-8-24-17(26)10-13/h1-6,9,13H,7-8,10H2,(H,24,26)(H,25,27)
InChIKeyQWLUGMANEUIQBF-UHFFFAOYSA-N
MW396.34 g/mol
LogP3.65
Rot. Bonds4

About 2-(4-fluorophenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide

2-(4-fluorophenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide (PubChem CID 112500063) has the molecular formula C19H16F4N2O3 and a molecular weight of 396.34 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide
PubChem CID112500063
Molecular FormulaC19H16F4N2O3
Molecular Weight396.34 g/mol
Exact Mass396.11
IUPAC Name2-(4-fluorophenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide
SMILESO=C1CC(NC(=O)c2ccc(C(F)(F)F)cc2Oc2ccc(F)cc2)CCN1
InChIInChI=1S/C19H16F4N2O3/c20-12-2-4-14(5-3-12)28-16-9-11(19(21,22)23)1-6-15(16)18(27)25-13-7-8-24-17(26)10-13/h1-6,9,13H,7-8,10H2,(H,24,26)(H,25,27)
InChIKeyQWLUGMANEUIQBF-UHFFFAOYSA-N
XLogP3.65
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.34
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Flecainide
CID 3356
Flecainide Acetate
CID 41022
(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
GT-0198
CID 71584823
N-(1-Benzylpiperidin-4-yl)-2,3-dimethoxybenzamide
CID 13314232
N,N-Diethyl-2-hydroxy-4-(spiro[chromene-2,4''-piperidine]-4-yl)benzamide
CID 11406708

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide (CID 112500063) is 2-(4-fluorophenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide is O=C1CC(NC(=O)c2ccc(C(F)(F)F)cc2Oc2ccc(F)cc2)CCN1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is QWLUGMANEUIQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F4N2O3/c20-12-2-4-14(5-3-12)28-16-9-11(19(21,22)23)1-6-15(16)18(27)25-13-7-8-24-17(26)10-13/h1-6,9,13H,7-8,10H2,(H,24,26)(H,25,27).
What are the key properties of 2-(4-fluorophenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide?
2-(4-fluorophenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 396.34 g/mol, XLogP of 3.65, 4 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-(trifluoromethyl)benzamide is sourced from PubChem (CID 112500063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).