3-[2-[3-(3,4-difluorophenyl)-2-methylpyrrolidin-1-yl]-2-oxoethoxy]-N-methylbenzamide

C21H22F2N2O3 — CID 166283162

IUPAC3-[2-[3-(3,4-difluorophenyl)-2-methylpyrrolidin-1-yl]-2-oxoethoxy]-N-methylbenzamide
SMILESCNC(=O)c1cccc(OCC(=O)N2CCC(c3ccc(F)c(F)c3)C2C)c1
InChIInChI=1S/C21H22F2N2O3/c1-13-17(14-6-7-18(22)19(23)11-14)8-9-25(13)20(26)12-28-16-5-3-4-15(10-16)21(27)24-2/h3-7,10-11,13,17H,8-9,12H2,1-2H3,(H,24,27)
InChIKeyWPHPJAZLTDECLX-UHFFFAOYSA-N
MW388.41 g/mol
LogP3.11
Rot. Bonds5

About 3-[2-[3-(3,4-difluorophenyl)-2-methylpyrrolidin-1-yl]-2-oxoethoxy]-N-methylbenzamide

3-[2-[3-(3,4-difluorophenyl)-2-methylpyrrolidin-1-yl]-2-oxoethoxy]-N-methylbenzamide (PubChem CID 166283162) has the molecular formula C21H22F2N2O3 and a molecular weight of 388.41 g/mol. Its IUPAC name is 3-[2-[3-(3,4-difluorophenyl)-2-methylpyrrolidin-1-yl]-2-oxoethoxy]-N-methylbenzamide.

Molecular Properties

Compound Name3-[2-[3-(3,4-difluorophenyl)-2-methylpyrrolidin-1-yl]-2-oxoethoxy]-N-methylbenzamide
PubChem CID166283162
Molecular FormulaC21H22F2N2O3
Molecular Weight388.41 g/mol
Exact Mass388.16
IUPAC Name3-[2-[3-(3,4-difluorophenyl)-2-methylpyrrolidin-1-yl]-2-oxoethoxy]-N-methylbenzamide
SMILESCNC(=O)c1cccc(OCC(=O)N2CCC(c3ccc(F)c(F)c3)C2C)c1
InChIInChI=1S/C21H22F2N2O3/c1-13-17(14-6-7-18(22)19(23)11-14)8-9-25(13)20(26)12-28-16-5-3-4-15(10-16)21(27)24-2/h3-7,10-11,13,17H,8-9,12H2,1-2H3,(H,24,27)
InChIKeyWPHPJAZLTDECLX-UHFFFAOYSA-N
XLogP3.11
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[2-[3-(3,4-difluorophenyl)-2-methylpyrrolidin-1-yl]-2-oxoethoxy]-N-methylbenzamide 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

2-[3-(2-methyl-3-phenylpyrrolidine-1-carbonyl)phenoxy]acetic acid
CID 119186874
3-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethoxy]-N-methylbenzamide
CID 146084564
(2R,3R)-1-[2-(3-acetylphenoxy)acetyl]-2-methylpiperidine-3-carboxylic acid
CID 122114832
N-methyl-3-[2-oxo-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-ylamino)ethoxy]benzamide
CID 154841683
3-[(2-fluorophenyl)methoxy]-N-methylbenzamide
CID 13176420
[3-(3,4-difluorophenyl)-2-methylpyrrolidin-1-yl]-(3-methylpyrazin-2-yl)methanone
CID 154870599
(2R)-1-[2-(3-acetylphenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 119370741
3-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoic acid
CID 16769713
(2R,3R)-1-[2-(3-chlorophenoxy)acetyl]-2-methylpiperidine-3-carboxylic acid
CID 122114931
2-(3-aminophenoxy)-1-(2,3-dimethylpiperidin-1-yl)ethanone
CID 62123166
2-[3-(methylaminomethyl)phenoxy]-1-(2-methylpiperidin-1-yl)ethanone
CID 106486108
methyl 3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoate
CID 112786430

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(3,4-difluorophenyl)-2-methylpyrrolidin-1-yl]-2-oxoethoxy]-N-methylbenzamide?
The IUPAC name of 3-[2-[3-(3,4-difluorophenyl)-2-methylpyrrolidin-1-yl]-2-oxoethoxy]-N-methylbenzamide (CID 166283162) is 3-[2-[3-(3,4-difluorophenyl)-2-methylpyrrolidin-1-yl]-2-oxoethoxy]-N-methylbenzamide.
What is the SMILES notation for 3-[2-[3-(3,4-difluorophenyl)-2-methylpyrrolidin-1-yl]-2-oxoethoxy]-N-methylbenzamide?
The canonical SMILES for 3-[2-[3-(3,4-difluorophenyl)-2-methylpyrrolidin-1-yl]-2-oxoethoxy]-N-methylbenzamide is CNC(=O)c1cccc(OCC(=O)N2CCC(c3ccc(F)c(F)c3)C2C)c1.
What is the InChIKey of 3-[2-[3-(3,4-difluorophenyl)-2-methylpyrrolidin-1-yl]-2-oxoethoxy]-N-methylbenzamide?
The InChIKey is WPHPJAZLTDECLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N2O3/c1-13-17(14-6-7-18(22)19(23)11-14)8-9-25(13)20(26)12-28-16-5-3-4-15(10-16)21(27)24-2/h3-7,10-11,13,17H,8-9,12H2,1-2H3,(H,24,27).
What are the key properties of 3-[2-[3-(3,4-difluorophenyl)-2-methylpyrrolidin-1-yl]-2-oxoethoxy]-N-methylbenzamide?
3-[2-[3-(3,4-difluorophenyl)-2-methylpyrrolidin-1-yl]-2-oxoethoxy]-N-methylbenzamide has a molecular weight of 388.41 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(3,4-difluorophenyl)-2-methylpyrrolidin-1-yl]-2-oxoethoxy]-N-methylbenzamide is sourced from PubChem (CID 166283162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).