2-(2,5-dimethylphenyl)-N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]acetamide

C22H27FN2O — CID 125164930

IUPAC2-(2,5-dimethylphenyl)-N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]acetamide
SMILESCc1ccc(C)c(CC(=O)NC[C@@H](c2ccccc2F)N2CCCC2)c1
InChIInChI=1S/C22H27FN2O/c1-16-9-10-17(2)18(13-16)14-22(26)24-15-21(25-11-5-6-12-25)19-7-3-4-8-20(19)23/h3-4,7-10,13,21H,5-6,11-12,14-15H2,1-2H3,(H,24,26)/t21-/m0/s1
InChIKeyGRRMELROWAWPMW-NRFANRHFSA-N
MW354.47 g/mol
LogP3.94
Rot. Bonds6

About 2-(2,5-dimethylphenyl)-N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]acetamide

2-(2,5-dimethylphenyl)-N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]acetamide (PubChem CID 125164930) has the molecular formula C22H27FN2O and a molecular weight of 354.47 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]acetamide
PubChem CID125164930
Molecular FormulaC22H27FN2O
Molecular Weight354.47 g/mol
Exact Mass354.21
IUPAC Name2-(2,5-dimethylphenyl)-N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]acetamide
SMILESCc1ccc(C)c(CC(=O)NC[C@@H](c2ccccc2F)N2CCCC2)c1
InChIInChI=1S/C22H27FN2O/c1-16-9-10-17(2)18(13-16)14-22(26)24-15-21(25-11-5-6-12-25)19-7-3-4-8-20(19)23/h3-4,7-10,13,21H,5-6,11-12,14-15H2,1-2H3,(H,24,26)/t21-/m0/s1
InChIKeyGRRMELROWAWPMW-NRFANRHFSA-N
XLogP3.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,5-dimethylphenyl)-N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]acetamide?
The IUPAC name of 2-(2,5-dimethylphenyl)-N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]acetamide (CID 125164930) is 2-(2,5-dimethylphenyl)-N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]acetamide?
The canonical SMILES for 2-(2,5-dimethylphenyl)-N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]acetamide is Cc1ccc(C)c(CC(=O)NC[C@@H](c2ccccc2F)N2CCCC2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]acetamide?
The InChIKey is GRRMELROWAWPMW-NRFANRHFSA-N. The full InChI is InChI=1S/C22H27FN2O/c1-16-9-10-17(2)18(13-16)14-22(26)24-15-21(25-11-5-6-12-25)19-7-3-4-8-20(19)23/h3-4,7-10,13,21H,5-6,11-12,14-15H2,1-2H3,(H,24,26)/t21-/m0/s1.
What are the key properties of 2-(2,5-dimethylphenyl)-N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]acetamide?
2-(2,5-dimethylphenyl)-N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]acetamide has a molecular weight of 354.47 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]acetamide is sourced from PubChem (CID 125164930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).