N-(2-oxopiperidin-4-yl)-5-(trifluoromethyl)-2-(2,3,5-trimethylphenoxy)benzamide

C22H23F3N2O3 — CID 112500146

IUPACN-(2-oxopiperidin-4-yl)-5-(trifluoromethyl)-2-(2,3,5-trimethylphenoxy)benzamide
SMILESCc1cc(C)c(C)c(Oc2ccc(C(F)(F)F)cc2C(=O)NC2CCNC(=O)C2)c1
InChIInChI=1S/C22H23F3N2O3/c1-12-8-13(2)14(3)19(9-12)30-18-5-4-15(22(23,24)25)10-17(18)21(29)27-16-6-7-26-20(28)11-16/h4-5,8-10,16H,6-7,11H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyPISREYNPDAKYIN-UHFFFAOYSA-N
MW420.43 g/mol
LogP4.43
Rot. Bonds4

About N-(2-oxopiperidin-4-yl)-5-(trifluoromethyl)-2-(2,3,5-trimethylphenoxy)benzamide

N-(2-oxopiperidin-4-yl)-5-(trifluoromethyl)-2-(2,3,5-trimethylphenoxy)benzamide (PubChem CID 112500146) has the molecular formula C22H23F3N2O3 and a molecular weight of 420.43 g/mol. Its IUPAC name is N-(2-oxopiperidin-4-yl)-5-(trifluoromethyl)-2-(2,3,5-trimethylphenoxy)benzamide.

Molecular Properties

Compound NameN-(2-oxopiperidin-4-yl)-5-(trifluoromethyl)-2-(2,3,5-trimethylphenoxy)benzamide
PubChem CID112500146
Molecular FormulaC22H23F3N2O3
Molecular Weight420.43 g/mol
Exact Mass420.17
IUPAC NameN-(2-oxopiperidin-4-yl)-5-(trifluoromethyl)-2-(2,3,5-trimethylphenoxy)benzamide
SMILESCc1cc(C)c(C)c(Oc2ccc(C(F)(F)F)cc2C(=O)NC2CCNC(=O)C2)c1
InChIInChI=1S/C22H23F3N2O3/c1-12-8-13(2)14(3)19(9-12)30-18-5-4-15(22(23,24)25)10-17(18)21(29)27-16-6-7-26-20(28)11-16/h4-5,8-10,16H,6-7,11H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyPISREYNPDAKYIN-UHFFFAOYSA-N
XLogP4.43
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.43
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-oxopiperidin-4-yl)-5-(trifluoromethyl)-2-(2,3,5-trimethylphenoxy)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

YAP/TAZ inhibitor-3
CID 155214091
2-{2-[3-(Piperazin-1-ylcarbonyl)phenyl]ethoxy}benzamide
CID 25218489
GT-0198
CID 71584823
N,N-Diethyl-2-hydroxy-4-(spiro[chromene-2,4''-piperidine]-4-yl)benzamide
CID 11406708
US10174000, Example 27
CID 126622195
N-[2-(3,4-dimethylphenoxy)ethyl]-2-methoxybenzamide
CID 2252719
Iso-1 F-18
CID 16737780
N-cyclohexyl-3-methoxynaphthalene-2-carboxamide
CID 2571368
(3-Methoxynaphthalen-2-yl)(piperidin-1-yl)methanone
CID 2711799
N-(1-benzyl-4-piperidinyl)-2,2-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
CID 2738398
N-cyclopentyl-3-methoxynaphthalene-2-carboxamide
CID 4788977
N-(1-benzylpiperidin-4-yl)-2-ethoxybenzamide
CID 8181355

Frequently Asked Questions

What is the IUPAC name of N-(2-oxopiperidin-4-yl)-5-(trifluoromethyl)-2-(2,3,5-trimethylphenoxy)benzamide?
The IUPAC name of N-(2-oxopiperidin-4-yl)-5-(trifluoromethyl)-2-(2,3,5-trimethylphenoxy)benzamide (CID 112500146) is N-(2-oxopiperidin-4-yl)-5-(trifluoromethyl)-2-(2,3,5-trimethylphenoxy)benzamide.
What is the SMILES notation for N-(2-oxopiperidin-4-yl)-5-(trifluoromethyl)-2-(2,3,5-trimethylphenoxy)benzamide?
The canonical SMILES for N-(2-oxopiperidin-4-yl)-5-(trifluoromethyl)-2-(2,3,5-trimethylphenoxy)benzamide is Cc1cc(C)c(C)c(Oc2ccc(C(F)(F)F)cc2C(=O)NC2CCNC(=O)C2)c1.
What is the InChIKey of N-(2-oxopiperidin-4-yl)-5-(trifluoromethyl)-2-(2,3,5-trimethylphenoxy)benzamide?
The InChIKey is PISREYNPDAKYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N2O3/c1-12-8-13(2)14(3)19(9-12)30-18-5-4-15(22(23,24)25)10-17(18)21(29)27-16-6-7-26-20(28)11-16/h4-5,8-10,16H,6-7,11H2,1-3H3,(H,26,28)(H,27,29).
What are the key properties of N-(2-oxopiperidin-4-yl)-5-(trifluoromethyl)-2-(2,3,5-trimethylphenoxy)benzamide?
N-(2-oxopiperidin-4-yl)-5-(trifluoromethyl)-2-(2,3,5-trimethylphenoxy)benzamide has a molecular weight of 420.43 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxopiperidin-4-yl)-5-(trifluoromethyl)-2-(2,3,5-trimethylphenoxy)benzamide is sourced from PubChem (CID 112500146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).