2-(2-chlorophenyl)-1-[3-(2-methoxyphenyl)pyrrolidin-1-yl]ethanone

C19H20ClNO2 — CID 122243063

IUPAC2-(2-chlorophenyl)-1-[3-(2-methoxyphenyl)pyrrolidin-1-yl]ethanone
SMILESCOc1ccccc1C1CCN(C(=O)Cc2ccccc2Cl)C1
InChIInChI=1S/C19H20ClNO2/c1-23-18-9-5-3-7-16(18)15-10-11-21(13-15)19(22)12-14-6-2-4-8-17(14)20/h2-9,15H,10-13H2,1H3
InChIKeyLLYPNBGGJXSVQL-UHFFFAOYSA-N
MW329.83 g/mol
LogP3.91
Rot. Bonds4

About 2-(2-chlorophenyl)-1-[3-(2-methoxyphenyl)pyrrolidin-1-yl]ethanone

2-(2-chlorophenyl)-1-[3-(2-methoxyphenyl)pyrrolidin-1-yl]ethanone (PubChem CID 122243063) has the molecular formula C19H20ClNO2 and a molecular weight of 329.83 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-[3-(2-methoxyphenyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-[3-(2-methoxyphenyl)pyrrolidin-1-yl]ethanone
PubChem CID122243063
Molecular FormulaC19H20ClNO2
Molecular Weight329.83 g/mol
Exact Mass329.12
IUPAC Name2-(2-chlorophenyl)-1-[3-(2-methoxyphenyl)pyrrolidin-1-yl]ethanone
SMILESCOc1ccccc1C1CCN(C(=O)Cc2ccccc2Cl)C1
InChIInChI=1S/C19H20ClNO2/c1-23-18-9-5-3-7-16(18)15-10-11-21(13-15)19(22)12-14-6-2-4-8-17(14)20/h2-9,15H,10-13H2,1H3
InChIKeyLLYPNBGGJXSVQL-UHFFFAOYSA-N
XLogP3.91
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2-chlorophenyl)-1-[3-(2-methoxyphenyl)pyrrolidin-1-yl]ethanone 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-chlorophenyl)-1-[3-(2-methoxyphenyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(2-chlorophenyl)-1-[3-(2-methoxyphenyl)pyrrolidin-1-yl]ethanone (CID 122243063) is 2-(2-chlorophenyl)-1-[3-(2-methoxyphenyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-chlorophenyl)-1-[3-(2-methoxyphenyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(2-chlorophenyl)-1-[3-(2-methoxyphenyl)pyrrolidin-1-yl]ethanone is COc1ccccc1C1CCN(C(=O)Cc2ccccc2Cl)C1.
What is the InChIKey of 2-(2-chlorophenyl)-1-[3-(2-methoxyphenyl)pyrrolidin-1-yl]ethanone?
The InChIKey is LLYPNBGGJXSVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO2/c1-23-18-9-5-3-7-16(18)15-10-11-21(13-15)19(22)12-14-6-2-4-8-17(14)20/h2-9,15H,10-13H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-1-[3-(2-methoxyphenyl)pyrrolidin-1-yl]ethanone?
2-(2-chlorophenyl)-1-[3-(2-methoxyphenyl)pyrrolidin-1-yl]ethanone has a molecular weight of 329.83 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-[3-(2-methoxyphenyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 122243063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).