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

C22H27FN2O — CID 118782649

IUPAC2-(2,5-dimethylphenyl)-N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]acetamide
SMILESCc1ccc(C)c(CC(=O)NCC(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)
InChIKeyGRRMELROWAWPMW-UHFFFAOYSA-N
MW354.47 g/mol
LogP3.94
Rot. Bonds6

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

2-(2,5-dimethylphenyl)-N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]acetamide (PubChem CID 118782649) has the molecular formula C22H27FN2O and a molecular weight of 354.47 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]acetamide
PubChem CID118782649
Molecular FormulaC22H27FN2O
Molecular Weight354.47 g/mol
Exact Mass354.21
IUPAC Name2-(2,5-dimethylphenyl)-N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]acetamide
SMILESCc1ccc(C)c(CC(=O)NCC(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)
InChIKeyGRRMELROWAWPMW-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]acetamide?
The IUPAC name of 2-(2,5-dimethylphenyl)-N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]acetamide (CID 118782649) is 2-(2,5-dimethylphenyl)-N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]acetamide?
The canonical SMILES for 2-(2,5-dimethylphenyl)-N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]acetamide is Cc1ccc(C)c(CC(=O)NCC(c2ccccc2F)N2CCCC2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]acetamide?
The InChIKey is GRRMELROWAWPMW-UHFFFAOYSA-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).
What are the key properties of 2-(2,5-dimethylphenyl)-N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]acetamide?
2-(2,5-dimethylphenyl)-N-[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-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]acetamide is sourced from PubChem (CID 118782649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).