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

C21H18F6N2O3 — CID 112500166

IUPAC2-(4-fluoro-2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-4-(1,1,2,2,2-pentafluoroethyl)benzamide
SMILESCc1cc(F)ccc1Oc1cc(C(F)(F)C(F)(F)F)ccc1C(=O)NC1CCNC(=O)C1
InChIInChI=1S/C21H18F6N2O3/c1-11-8-13(22)3-5-16(11)32-17-9-12(20(23,24)21(25,26)27)2-4-15(17)19(31)29-14-6-7-28-18(30)10-14/h2-5,8-9,14H,6-7,10H2,1H3,(H,28,30)(H,29,31)
InChIKeyGPFAMWGNFZNZDC-UHFFFAOYSA-N
MW460.37 g/mol
LogP4.59
Rot. Bonds5

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

2-(4-fluoro-2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-4-(1,1,2,2,2-pentafluoroethyl)benzamide (PubChem CID 112500166) has the molecular formula C21H18F6N2O3 and a molecular weight of 460.37 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-4-(1,1,2,2,2-pentafluoroethyl)benzamide.

Molecular Properties

Compound Name2-(4-fluoro-2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-4-(1,1,2,2,2-pentafluoroethyl)benzamide
PubChem CID112500166
Molecular FormulaC21H18F6N2O3
Molecular Weight460.37 g/mol
Exact Mass460.12
IUPAC Name2-(4-fluoro-2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-4-(1,1,2,2,2-pentafluoroethyl)benzamide
SMILESCc1cc(F)ccc1Oc1cc(C(F)(F)C(F)(F)F)ccc1C(=O)NC1CCNC(=O)C1
InChIInChI=1S/C21H18F6N2O3/c1-11-8-13(22)3-5-16(11)32-17-9-12(20(23,24)21(25,26)27)2-4-15(17)19(31)29-14-6-7-28-18(30)10-14/h2-5,8-9,14H,6-7,10H2,1H3,(H,28,30)(H,29,31)
InChIKeyGPFAMWGNFZNZDC-UHFFFAOYSA-N
XLogP4.59
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.37
LogP ≤ 54.59
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-(1-Benzylpiperidin-4-yl)-2,3-dimethoxybenzamide
CID 13314232
N,N-Diethyl-4-[(2-methoxy-phenyl)-piperidin-4-ylidene-methyl]-benzamide
CID 10809678

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-4-(1,1,2,2,2-pentafluoroethyl)benzamide?
The IUPAC name of 2-(4-fluoro-2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-4-(1,1,2,2,2-pentafluoroethyl)benzamide (CID 112500166) is 2-(4-fluoro-2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-4-(1,1,2,2,2-pentafluoroethyl)benzamide.
What is the SMILES notation for 2-(4-fluoro-2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-4-(1,1,2,2,2-pentafluoroethyl)benzamide?
The canonical SMILES for 2-(4-fluoro-2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-4-(1,1,2,2,2-pentafluoroethyl)benzamide is Cc1cc(F)ccc1Oc1cc(C(F)(F)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-(1,1,2,2,2-pentafluoroethyl)benzamide?
The InChIKey is GPFAMWGNFZNZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F6N2O3/c1-11-8-13(22)3-5-16(11)32-17-9-12(20(23,24)21(25,26)27)2-4-15(17)19(31)29-14-6-7-28-18(30)10-14/h2-5,8-9,14H,6-7,10H2,1H3,(H,28,30)(H,29,31).
What are the key properties of 2-(4-fluoro-2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-4-(1,1,2,2,2-pentafluoroethyl)benzamide?
2-(4-fluoro-2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-4-(1,1,2,2,2-pentafluoroethyl)benzamide has a molecular weight of 460.37 g/mol, XLogP of 4.59, 5 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-(1,1,2,2,2-pentafluoroethyl)benzamide is sourced from PubChem (CID 112500166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).