N-benzyl-N-[[4-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-methoxyacetamide

C21H25FN2O2 — CID 46062619

IUPACN-benzyl-N-[[4-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)N(Cc1ccccc1)CC1CNCC1c1ccc(F)cc1
InChIInChI=1S/C21H25FN2O2/c1-26-15-21(25)24(13-16-5-3-2-4-6-16)14-18-11-23-12-20(18)17-7-9-19(22)10-8-17/h2-10,18,20,23H,11-15H2,1H3
InChIKeyGRBZNOHZSJKGPU-UHFFFAOYSA-N
MW356.44 g/mol
LogP2.80
Rot. Bonds7

About N-benzyl-N-[[4-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-methoxyacetamide

N-benzyl-N-[[4-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-methoxyacetamide (PubChem CID 46062619) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is N-benzyl-N-[[4-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-benzyl-N-[[4-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-methoxyacetamide
PubChem CID46062619
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC NameN-benzyl-N-[[4-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)N(Cc1ccccc1)CC1CNCC1c1ccc(F)cc1
InChIInChI=1S/C21H25FN2O2/c1-26-15-21(25)24(13-16-5-3-2-4-6-16)14-18-11-23-12-20(18)17-7-9-19(22)10-8-17/h2-10,18,20,23H,11-15H2,1H3
InChIKeyGRBZNOHZSJKGPU-UHFFFAOYSA-N
XLogP2.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-benzyl-N-[[4-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-methoxyacetamide 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 N-benzyl-N-[[4-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-methoxyacetamide?
The IUPAC name of N-benzyl-N-[[4-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-methoxyacetamide (CID 46062619) is N-benzyl-N-[[4-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-methoxyacetamide.
What is the SMILES notation for N-benzyl-N-[[4-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-methoxyacetamide?
The canonical SMILES for N-benzyl-N-[[4-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-methoxyacetamide is COCC(=O)N(Cc1ccccc1)CC1CNCC1c1ccc(F)cc1.
What is the InChIKey of N-benzyl-N-[[4-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-methoxyacetamide?
The InChIKey is GRBZNOHZSJKGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O2/c1-26-15-21(25)24(13-16-5-3-2-4-6-16)14-18-11-23-12-20(18)17-7-9-19(22)10-8-17/h2-10,18,20,23H,11-15H2,1H3.
What are the key properties of N-benzyl-N-[[4-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-methoxyacetamide?
N-benzyl-N-[[4-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-methoxyacetamide has a molecular weight of 356.44 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[[4-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-methoxyacetamide is sourced from PubChem (CID 46062619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).