2-(3,4-dichlorophenyl)-N-[1-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methylacetamide

C23H28Cl2N2O3 — CID 3082720

IUPAC2-(3,4-dichlorophenyl)-N-[1-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methylacetamide
SMILESCOc1ccc(C(CN2CCCC2)N(C)C(=O)Cc2ccc(Cl)c(Cl)c2)cc1OC
InChIInChI=1S/C23H28Cl2N2O3/c1-26(23(28)13-16-6-8-18(24)19(25)12-16)20(15-27-10-4-5-11-27)17-7-9-21(29-2)22(14-17)30-3/h6-9,12,14,20H,4-5,10-11,13,15H2,1-3H3
InChIKeyHZSSKRJMKPSXDC-UHFFFAOYSA-N
MW451.39 g/mol
LogP4.85
Rot. Bonds8

About 2-(3,4-dichlorophenyl)-N-[1-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methylacetamide

2-(3,4-dichlorophenyl)-N-[1-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methylacetamide (PubChem CID 3082720) has the molecular formula C23H28Cl2N2O3 and a molecular weight of 451.39 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-[1-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-[1-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methylacetamide
PubChem CID3082720
Molecular FormulaC23H28Cl2N2O3
Molecular Weight451.39 g/mol
Exact Mass450.15
IUPAC Name2-(3,4-dichlorophenyl)-N-[1-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methylacetamide
SMILESCOc1ccc(C(CN2CCCC2)N(C)C(=O)Cc2ccc(Cl)c(Cl)c2)cc1OC
InChIInChI=1S/C23H28Cl2N2O3/c1-26(23(28)13-16-6-8-18(24)19(25)12-16)20(15-27-10-4-5-11-27)17-7-9-21(29-2)22(14-17)30-3/h6-9,12,14,20H,4-5,10-11,13,15H2,1-3H3
InChIKeyHZSSKRJMKPSXDC-UHFFFAOYSA-N
XLogP4.85
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.39
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3,4-dichlorophenyl)-N-[1-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methylacetamide 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-(3,4-dichlorophenyl)-N-[1-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methylacetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-[1-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methylacetamide (CID 3082720) is 2-(3,4-dichlorophenyl)-N-[1-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methylacetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-[1-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methylacetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-[1-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methylacetamide is COc1ccc(C(CN2CCCC2)N(C)C(=O)Cc2ccc(Cl)c(Cl)c2)cc1OC.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-[1-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methylacetamide?
The InChIKey is HZSSKRJMKPSXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28Cl2N2O3/c1-26(23(28)13-16-6-8-18(24)19(25)12-16)20(15-27-10-4-5-11-27)17-7-9-21(29-2)22(14-17)30-3/h6-9,12,14,20H,4-5,10-11,13,15H2,1-3H3.
What are the key properties of 2-(3,4-dichlorophenyl)-N-[1-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methylacetamide?
2-(3,4-dichlorophenyl)-N-[1-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methylacetamide has a molecular weight of 451.39 g/mol, XLogP of 4.85, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-[1-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methylacetamide is sourced from PubChem (CID 3082720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).