3-(2,4-dichlorophenyl)-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]propanamide

C15H20Cl2N2O3S — CID 71910674

IUPAC3-(2,4-dichlorophenyl)-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]propanamide
SMILESCS(=O)(=O)N1CCC(CNC(=O)CCc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C15H20Cl2N2O3S/c1-23(21,22)19-7-6-11(10-19)9-18-15(20)5-3-12-2-4-13(16)8-14(12)17/h2,4,8,11H,3,5-7,9-10H2,1H3,(H,18,20)
InChIKeyJFYJLWJFLCPSAU-UHFFFAOYSA-N
MW379.31 g/mol
LogP2.32
Rot. Bonds6

About 3-(2,4-dichlorophenyl)-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]propanamide

3-(2,4-dichlorophenyl)-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]propanamide (PubChem CID 71910674) has the molecular formula C15H20Cl2N2O3S and a molecular weight of 379.31 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]propanamide
PubChem CID71910674
Molecular FormulaC15H20Cl2N2O3S
Molecular Weight379.31 g/mol
Exact Mass378.06
IUPAC Name3-(2,4-dichlorophenyl)-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]propanamide
SMILESCS(=O)(=O)N1CCC(CNC(=O)CCc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C15H20Cl2N2O3S/c1-23(21,22)19-7-6-11(10-19)9-18-15(20)5-3-12-2-4-13(16)8-14(12)17/h2,4,8,11H,3,5-7,9-10H2,1H3,(H,18,20)
InChIKeyJFYJLWJFLCPSAU-UHFFFAOYSA-N
XLogP2.32
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,4-dichlorophenyl)methyl]-1-ethyl-3-[(1-methylsulfonylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111198033
1-(4-chloro-2-ethylphenyl)-3-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]urea
CID 126445081
(2S)-2-(2,4-dichlorophenoxy)-N-[(1-methylsulfonylpiperidin-4-yl)methyl]propanamide
CID 97064260
3-(2,4-dichlorophenyl)-1-(3-methylsulfonylpyrrolidin-1-yl)propan-1-one
CID 90586900
N-(4-cyclopropyl-2-hydroxybutyl)-3-(2,4-dichlorophenyl)propanamide
CID 166331353
3-(2,4-dichlorophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one
CID 119647602
N-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-thiophen-2-ylpropanamide
CID 110736265
N-[[1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-yl]methyl]cyclooctanecarboxamide
CID 173136420
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-[(2,4-dichlorophenyl)methylsulfanyl]acetamide
CID 60580638
1-cyclooctyl-3-[[1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-yl]methyl]urea;methane
CID 173136289
3-(2,4-dichlorophenyl)-N-methylpropanamide
CID 60731277
1-(2,2-dimethylbutyl)-3-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]urea
CID 124622355

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]propanamide?
The IUPAC name of 3-(2,4-dichlorophenyl)-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]propanamide (CID 71910674) is 3-(2,4-dichlorophenyl)-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]propanamide.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]propanamide?
The canonical SMILES for 3-(2,4-dichlorophenyl)-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]propanamide is CS(=O)(=O)N1CCC(CNC(=O)CCc2ccc(Cl)cc2Cl)C1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]propanamide?
The InChIKey is JFYJLWJFLCPSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O3S/c1-23(21,22)19-7-6-11(10-19)9-18-15(20)5-3-12-2-4-13(16)8-14(12)17/h2,4,8,11H,3,5-7,9-10H2,1H3,(H,18,20).
What are the key properties of 3-(2,4-dichlorophenyl)-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]propanamide?
3-(2,4-dichlorophenyl)-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]propanamide has a molecular weight of 379.31 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]propanamide is sourced from PubChem (CID 71910674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).