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

C20H18F4N2O3 — CID 112500068

IUPAC2-(4-fluoro-2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide
SMILESCc1cc(F)ccc1Oc1cc(C(F)(F)F)ccc1C(=O)NC1CCNC(=O)C1
InChIInChI=1S/C20H18F4N2O3/c1-11-8-13(21)3-5-16(11)29-17-9-12(20(22,23)24)2-4-15(17)19(28)26-14-6-7-25-18(27)10-14/h2-5,8-9,14H,6-7,10H2,1H3,(H,25,27)(H,26,28)
InChIKeyDGVDSZXJLNOFBB-UHFFFAOYSA-N
MW410.37 g/mol
LogP3.95
Rot. Bonds4

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

2-(4-fluoro-2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide (PubChem CID 112500068) has the molecular formula C20H18F4N2O3 and a molecular weight of 410.37 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-(4-fluoro-2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide
PubChem CID112500068
Molecular FormulaC20H18F4N2O3
Molecular Weight410.37 g/mol
Exact Mass410.13
IUPAC Name2-(4-fluoro-2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide
SMILESCc1cc(F)ccc1Oc1cc(C(F)(F)F)ccc1C(=O)NC1CCNC(=O)C1
InChIInChI=1S/C20H18F4N2O3/c1-11-8-13(21)3-5-16(11)29-17-9-12(20(22,23)24)2-4-15(17)19(28)26-14-6-7-25-18(27)10-14/h2-5,8-9,14H,6-7,10H2,1H3,(H,25,27)(H,26,28)
InChIKeyDGVDSZXJLNOFBB-UHFFFAOYSA-N
XLogP3.95
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.37
LogP ≤ 53.95
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
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
7-fluoro-4-oxo-N-(1-((2-oxo-2H-chromen-7-yl)methyl)piperidin-4-yl)-4H-chromene-2-carboxamide
CID 11583193
2-ethoxy-N-{2-[(2-ethoxybenzoyl)amino]ethyl}benzamide
CID 1769368

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-(4-fluoro-2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide (CID 112500068) is 2-(4-fluoro-2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-(4-fluoro-2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-(4-fluoro-2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide is Cc1cc(F)ccc1Oc1cc(C(F)(F)F)ccc1C(=O)NC1CCNC(=O)C1.
What is the InChIKey of 2-(4-fluoro-2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is DGVDSZXJLNOFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F4N2O3/c1-11-8-13(21)3-5-16(11)29-17-9-12(20(22,23)24)2-4-15(17)19(28)26-14-6-7-25-18(27)10-14/h2-5,8-9,14H,6-7,10H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 2-(4-fluoro-2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide?
2-(4-fluoro-2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 410.37 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 112500068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).