2-(3,4-dichlorophenyl)-N-methyl-N-[2-(2-pyrrolidin-1-ylphenyl)ethyl]acetamide;hydrochloride

C21H25Cl3N2O — CID 70422202

IUPAC2-(3,4-dichlorophenyl)-N-methyl-N-[2-(2-pyrrolidin-1-ylphenyl)ethyl]acetamide;hydrochloride
SMILESCN(CCc1ccccc1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C21H24Cl2N2O.ClH/c1-24(21(26)15-16-8-9-18(22)19(23)14-16)13-10-17-6-2-3-7-20(17)25-11-4-5-12-25;/h2-3,6-9,14H,4-5,10-13,15H2,1H3;1H
InChIKeyASHBOCZNSLAVDX-UHFFFAOYSA-N
MW427.80 g/mol
LogP5.26
Rot. Bonds6

About 2-(3,4-dichlorophenyl)-N-methyl-N-[2-(2-pyrrolidin-1-ylphenyl)ethyl]acetamide;hydrochloride

2-(3,4-dichlorophenyl)-N-methyl-N-[2-(2-pyrrolidin-1-ylphenyl)ethyl]acetamide;hydrochloride (PubChem CID 70422202) has the molecular formula C21H25Cl3N2O and a molecular weight of 427.80 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-methyl-N-[2-(2-pyrrolidin-1-ylphenyl)ethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-methyl-N-[2-(2-pyrrolidin-1-ylphenyl)ethyl]acetamide;hydrochloride
PubChem CID70422202
Molecular FormulaC21H25Cl3N2O
Molecular Weight427.80 g/mol
Exact Mass426.10
IUPAC Name2-(3,4-dichlorophenyl)-N-methyl-N-[2-(2-pyrrolidin-1-ylphenyl)ethyl]acetamide;hydrochloride
SMILESCN(CCc1ccccc1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C21H24Cl2N2O.ClH/c1-24(21(26)15-16-8-9-18(22)19(23)14-16)13-10-17-6-2-3-7-20(17)25-11-4-5-12-25;/h2-3,6-9,14H,4-5,10-13,15H2,1H3;1H
InChIKeyASHBOCZNSLAVDX-UHFFFAOYSA-N
XLogP5.26
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.80
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dichlorophenyl)-N-methyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]acetamide
CID 70421787
2-(3,4-dichlorophenyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 7492195
2-(3,4-dichlorophenyl)-N-methyl-N-[(S)-phenyl(pyrrolidin-1-yl)methyl]acetamide;propane
CID 160603620
2-(3,4-dichlorophenyl)-N-(5-hydroxypentyl)-N-methylacetamide
CID 107202302
N-[2-(2-hydroxyphenyl)ethyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 75454981
2-(3,4-dichlorophenyl)-N,N-dimethylacetamide
CID 14740023
2-(3,4-dichlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide;hydrochloride
CID 19872097
2-(3,4-dichlorophenyl)-N-methyl-N-[(2R,3R)-3-pyrrolidin-1-yl-1,2,3,4-tetrahydroanthracen-2-yl]acetamide
CID 15697308
2-(3-chloro-4-hydroxyphenyl)-N-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]acetamide
CID 91767042
N-[(3-chlorophenyl)methyl]-2-(3,4-dichlorophenyl)-N-methylacetamide
CID 112792374
2-(3,4-dichlorophenyl)-N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methylacetamide
CID 60574619
3,5-dichloro-4-methoxy-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 55415889

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-methyl-N-[2-(2-pyrrolidin-1-ylphenyl)ethyl]acetamide;hydrochloride?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-methyl-N-[2-(2-pyrrolidin-1-ylphenyl)ethyl]acetamide;hydrochloride (CID 70422202) is 2-(3,4-dichlorophenyl)-N-methyl-N-[2-(2-pyrrolidin-1-ylphenyl)ethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-methyl-N-[2-(2-pyrrolidin-1-ylphenyl)ethyl]acetamide;hydrochloride?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-methyl-N-[2-(2-pyrrolidin-1-ylphenyl)ethyl]acetamide;hydrochloride is CN(CCc1ccccc1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1.Cl.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-methyl-N-[2-(2-pyrrolidin-1-ylphenyl)ethyl]acetamide;hydrochloride?
The InChIKey is ASHBOCZNSLAVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N2O.ClH/c1-24(21(26)15-16-8-9-18(22)19(23)14-16)13-10-17-6-2-3-7-20(17)25-11-4-5-12-25;/h2-3,6-9,14H,4-5,10-13,15H2,1H3;1H.
What are the key properties of 2-(3,4-dichlorophenyl)-N-methyl-N-[2-(2-pyrrolidin-1-ylphenyl)ethyl]acetamide;hydrochloride?
2-(3,4-dichlorophenyl)-N-methyl-N-[2-(2-pyrrolidin-1-ylphenyl)ethyl]acetamide;hydrochloride has a molecular weight of 427.80 g/mol, XLogP of 5.26, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-methyl-N-[2-(2-pyrrolidin-1-ylphenyl)ethyl]acetamide;hydrochloride is sourced from PubChem (CID 70422202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).