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

C21H24Cl2N2O — CID 70421787

IUPAC2-(3,4-dichlorophenyl)-N-methyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]acetamide
SMILESCN(CCc1ccc(N2CCCC2)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H24Cl2N2O/c1-24(21(26)15-17-6-9-19(22)20(23)14-17)13-10-16-4-7-18(8-5-16)25-11-2-3-12-25/h4-9,14H,2-3,10-13,15H2,1H3
InChIKeyCLHMIYURNPCLKC-UHFFFAOYSA-N
MW391.34 g/mol
LogP4.84
Rot. Bonds6

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

2-(3,4-dichlorophenyl)-N-methyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]acetamide (PubChem CID 70421787) has the molecular formula C21H24Cl2N2O and a molecular weight of 391.34 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-methyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-methyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]acetamide
PubChem CID70421787
Molecular FormulaC21H24Cl2N2O
Molecular Weight391.34 g/mol
Exact Mass390.13
IUPAC Name2-(3,4-dichlorophenyl)-N-methyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]acetamide
SMILESCN(CCc1ccc(N2CCCC2)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H24Cl2N2O/c1-24(21(26)15-17-6-9-19(22)20(23)14-17)13-10-16-4-7-18(8-5-16)25-11-2-3-12-25/h4-9,14H,2-3,10-13,15H2,1H3
InChIKeyCLHMIYURNPCLKC-UHFFFAOYSA-N
XLogP4.84
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.34
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-dichlorophenyl)-N-methyl-N-[2-(2-pyrrolidin-1-ylphenyl)ethyl]acetamide;hydrochloride
CID 70422202
2-(3,4-dichlorophenyl)-N-(5-hydroxypentyl)-N-methylacetamide
CID 107202302
2-(3,4-dichlorophenyl)-N,N-dimethylacetamide
CID 14740023
4-(3,4-dichlorophenyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]butanamide
CID 55826912
2-(3-chloro-4-hydroxyphenyl)-N-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]acetamide
CID 91767042
2-(3,4-dichlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide;hydrochloride
CID 19872097
2-(4-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 110755605
2-(3,4-dichlorophenyl)-1-pyrrolidin-1-ylethanone
CID 10422618
N-[2-(2-methoxyphenyl)ethyl]-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide
CID 110626933
1-[2-(3,4-dichlorophenyl)ethyl]-1,3-dimethylurea
CID 115169525
2-(3,4-dichlorophenyl)-N-methyl-N-[(S)-phenyl(pyrrolidin-1-yl)methyl]acetamide;propane
CID 160603620
1-(azepan-1-yl)-2-(3,4-dichlorophenyl)ethanone
CID 60629303

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-methyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]acetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-methyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]acetamide (CID 70421787) is 2-(3,4-dichlorophenyl)-N-methyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-methyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-methyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]acetamide is CN(CCc1ccc(N2CCCC2)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-methyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]acetamide?
The InChIKey is CLHMIYURNPCLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N2O/c1-24(21(26)15-17-6-9-19(22)20(23)14-17)13-10-16-4-7-18(8-5-16)25-11-2-3-12-25/h4-9,14H,2-3,10-13,15H2,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-N-methyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]acetamide?
2-(3,4-dichlorophenyl)-N-methyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]acetamide has a molecular weight of 391.34 g/mol, XLogP of 4.84, 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-(4-pyrrolidin-1-ylphenyl)ethyl]acetamide is sourced from PubChem (CID 70421787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).