2-(3,4-dichlorophenyl)-N-methyl-N-[1-[3-(methylamino)phenyl]-2-pyrrolidin-1-ylethyl]acetamide

C22H27Cl2N3O — CID 15130835

IUPAC2-(3,4-dichlorophenyl)-N-methyl-N-[1-[3-(methylamino)phenyl]-2-pyrrolidin-1-ylethyl]acetamide
SMILESCNc1cccc(C(CN2CCCC2)N(C)C(=O)Cc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C22H27Cl2N3O/c1-25-18-7-5-6-17(14-18)21(15-27-10-3-4-11-27)26(2)22(28)13-16-8-9-19(23)20(24)12-16/h5-9,12,14,21,25H,3-4,10-11,13,15H2,1-2H3
InChIKeyWMLSIRSGFQXLMP-UHFFFAOYSA-N
MW420.38 g/mol
LogP4.87
Rot. Bonds7

About 2-(3,4-dichlorophenyl)-N-methyl-N-[1-[3-(methylamino)phenyl]-2-pyrrolidin-1-ylethyl]acetamide

2-(3,4-dichlorophenyl)-N-methyl-N-[1-[3-(methylamino)phenyl]-2-pyrrolidin-1-ylethyl]acetamide (PubChem CID 15130835) has the molecular formula C22H27Cl2N3O and a molecular weight of 420.38 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-methyl-N-[1-[3-(methylamino)phenyl]-2-pyrrolidin-1-ylethyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-methyl-N-[1-[3-(methylamino)phenyl]-2-pyrrolidin-1-ylethyl]acetamide
PubChem CID15130835
Molecular FormulaC22H27Cl2N3O
Molecular Weight420.38 g/mol
Exact Mass419.15
IUPAC Name2-(3,4-dichlorophenyl)-N-methyl-N-[1-[3-(methylamino)phenyl]-2-pyrrolidin-1-ylethyl]acetamide
SMILESCNc1cccc(C(CN2CCCC2)N(C)C(=O)Cc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C22H27Cl2N3O/c1-25-18-7-5-6-17(14-18)21(15-27-10-3-4-11-27)26(2)22(28)13-16-8-9-19(23)20(24)12-16/h5-9,12,14,21,25H,3-4,10-11,13,15H2,1-2H3
InChIKeyWMLSIRSGFQXLMP-UHFFFAOYSA-N
XLogP4.87
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.38
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-methyl-N-[1-[3-(methylamino)phenyl]-2-pyrrolidin-1-ylethyl]acetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-methyl-N-[1-[3-(methylamino)phenyl]-2-pyrrolidin-1-ylethyl]acetamide (CID 15130835) is 2-(3,4-dichlorophenyl)-N-methyl-N-[1-[3-(methylamino)phenyl]-2-pyrrolidin-1-ylethyl]acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-methyl-N-[1-[3-(methylamino)phenyl]-2-pyrrolidin-1-ylethyl]acetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-methyl-N-[1-[3-(methylamino)phenyl]-2-pyrrolidin-1-ylethyl]acetamide is CNc1cccc(C(CN2CCCC2)N(C)C(=O)Cc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-methyl-N-[1-[3-(methylamino)phenyl]-2-pyrrolidin-1-ylethyl]acetamide?
The InChIKey is WMLSIRSGFQXLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27Cl2N3O/c1-25-18-7-5-6-17(14-18)21(15-27-10-3-4-11-27)26(2)22(28)13-16-8-9-19(23)20(24)12-16/h5-9,12,14,21,25H,3-4,10-11,13,15H2,1-2H3.
What are the key properties of 2-(3,4-dichlorophenyl)-N-methyl-N-[1-[3-(methylamino)phenyl]-2-pyrrolidin-1-ylethyl]acetamide?
2-(3,4-dichlorophenyl)-N-methyl-N-[1-[3-(methylamino)phenyl]-2-pyrrolidin-1-ylethyl]acetamide has a molecular weight of 420.38 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-methyl-N-[1-[3-(methylamino)phenyl]-2-pyrrolidin-1-ylethyl]acetamide is sourced from PubChem (CID 15130835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).