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

C20H19F3N2O3 — CID 112500069

IUPAC2-(2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide
SMILESCc1ccccc1Oc1cc(C(F)(F)F)ccc1C(=O)NC1CCNC(=O)C1
InChIInChI=1S/C20H19F3N2O3/c1-12-4-2-3-5-16(12)28-17-10-13(20(21,22)23)6-7-15(17)19(27)25-14-8-9-24-18(26)11-14/h2-7,10,14H,8-9,11H2,1H3,(H,24,26)(H,25,27)
InChIKeyXMDOISRNMTYTDA-UHFFFAOYSA-N
MW392.38 g/mol
LogP3.81
Rot. Bonds4

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

2-(2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide (PubChem CID 112500069) has the molecular formula C20H19F3N2O3 and a molecular weight of 392.38 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide
PubChem CID112500069
Molecular FormulaC20H19F3N2O3
Molecular Weight392.38 g/mol
Exact Mass392.13
IUPAC Name2-(2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide
SMILESCc1ccccc1Oc1cc(C(F)(F)F)ccc1C(=O)NC1CCNC(=O)C1
InChIInChI=1S/C20H19F3N2O3/c1-12-4-2-3-5-16(12)28-17-10-13(20(21,22)23)6-7-15(17)19(27)25-14-8-9-24-18(26)11-14/h2-7,10,14H,8-9,11H2,1H3,(H,24,26)(H,25,27)
InChIKeyXMDOISRNMTYTDA-UHFFFAOYSA-N
XLogP3.81
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 53.81
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-{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-4-[(2-methoxy-phenyl)-piperidin-4-ylidene-methyl]-benzamide
CID 10809678
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-(2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-(2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide (CID 112500069) is 2-(2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide is Cc1ccccc1Oc1cc(C(F)(F)F)ccc1C(=O)NC1CCNC(=O)C1.
What is the InChIKey of 2-(2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is XMDOISRNMTYTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O3/c1-12-4-2-3-5-16(12)28-17-10-13(20(21,22)23)6-7-15(17)19(27)25-14-8-9-24-18(26)11-14/h2-7,10,14H,8-9,11H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 2-(2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide?
2-(2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 392.38 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 112500069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).