1-(3,4-dichlorophenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone

C15H20Cl2N2O — CID 63207252

IUPAC1-(3,4-dichlorophenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone
SMILESCN(CCN1CCCC1)CC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H20Cl2N2O/c1-18(8-9-19-6-2-3-7-19)11-15(20)12-4-5-13(16)14(17)10-12/h4-5,10H,2-3,6-9,11H2,1H3
InChIKeyYMTBOWQYNHOGDV-UHFFFAOYSA-N
MW315.24 g/mol
LogP3.20
Rot. Bonds6

About 1-(3,4-dichlorophenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone

1-(3,4-dichlorophenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone (PubChem CID 63207252) has the molecular formula C15H20Cl2N2O and a molecular weight of 315.24 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone
PubChem CID63207252
Molecular FormulaC15H20Cl2N2O
Molecular Weight315.24 g/mol
Exact Mass314.10
IUPAC Name1-(3,4-dichlorophenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone
SMILESCN(CCN1CCCC1)CC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H20Cl2N2O/c1-18(8-9-19-6-2-3-7-19)11-15(20)12-4-5-13(16)14(17)10-12/h4-5,10H,2-3,6-9,11H2,1H3
InChIKeyYMTBOWQYNHOGDV-UHFFFAOYSA-N
XLogP3.20
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone
CID 63207519
1-(3-fluorophenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone
CID 63207392
1-(3-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone
CID 63207254
2-(azepan-1-yl)-1-(3,4-dichlorophenyl)ethanone
CID 43219228
2-[[2-(3,4-dichlorophenyl)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 62050806
1-(3,4-dichlorophenyl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethanone
CID 107223621
1-(3,4-dichlorobenzoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
CID 56510249
N-(2-chlorophenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetamide
CID 11971646
2-[[2-(3,4-dichlorophenyl)-2-oxoethyl]-methylamino]-N-ethylacetamide
CID 62035140
N-cyclopropyl-2-[[2-(3,4-dichlorophenyl)-2-oxoethyl]-methylamino]acetamide
CID 62037469
N-(3-chloro-2-methylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetamide
CID 24832612
4-amino-3,5-dichloro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 82833511

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone?
The IUPAC name of 1-(3,4-dichlorophenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone (CID 63207252) is 1-(3,4-dichlorophenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone?
The canonical SMILES for 1-(3,4-dichlorophenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone is CN(CCN1CCCC1)CC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone?
The InChIKey is YMTBOWQYNHOGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O/c1-18(8-9-19-6-2-3-7-19)11-15(20)12-4-5-13(16)14(17)10-12/h4-5,10H,2-3,6-9,11H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone?
1-(3,4-dichlorophenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone has a molecular weight of 315.24 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone is sourced from PubChem (CID 63207252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).