N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide

C21H21F3N2O3 — CID 55778110

IUPACN-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
SMILESCc1cccc(C(=O)N2CCCC2)c1NC(=O)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H21F3N2O3/c1-14-5-4-6-17(20(28)26-11-2-3-12-26)19(14)25-18(27)13-29-16-9-7-15(8-10-16)21(22,23)24/h4-10H,2-3,11-13H2,1H3,(H,25,27)
InChIKeyMBEIJGGAGMYGFW-UHFFFAOYSA-N
MW406.40 g/mol
LogP4.27
Rot. Bonds5

About N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide

N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide (PubChem CID 55778110) has the molecular formula C21H21F3N2O3 and a molecular weight of 406.40 g/mol. Its IUPAC name is N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
PubChem CID55778110
Molecular FormulaC21H21F3N2O3
Molecular Weight406.40 g/mol
Exact Mass406.15
IUPAC NameN-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
SMILESCc1cccc(C(=O)N2CCCC2)c1NC(=O)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H21F3N2O3/c1-14-5-4-6-17(20(28)26-11-2-3-12-26)19(14)25-18(27)13-29-16-9-7-15(8-10-16)21(22,23)24/h4-10H,2-3,11-13H2,1H3,(H,25,27)
InChIKeyMBEIJGGAGMYGFW-UHFFFAOYSA-N
XLogP4.27
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.40
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide 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

N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]pentanamide
CID 86980028
2-[4-(2-methylbutan-2-yl)phenoxy]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 17093269
2-(4-methylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 4935995
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 71939910
N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide
CID 54596690
3-acetamido-3-(4-methoxyphenyl)-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 55672203
2-(3-methylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 4932419
2-(4-acetylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 26905349
N-[4-(piperidine-1-carbonyl)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100758551
2-[4-(pyrrolidine-1-carbothioyl)phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 126247714
4-cyano-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 86980033
2-(3,5-dimethylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 4932401

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide (CID 55778110) is N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide is Cc1cccc(C(=O)N2CCCC2)c1NC(=O)COc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is MBEIJGGAGMYGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N2O3/c1-14-5-4-6-17(20(28)26-11-2-3-12-26)19(14)25-18(27)13-29-16-9-7-15(8-10-16)21(22,23)24/h4-10H,2-3,11-13H2,1H3,(H,25,27).
What are the key properties of N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 406.40 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 55778110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).