2-(3,4-dichlorophenyl)-N-[1-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methylacetamide

C22H26Cl2N2O2 — CID 15130844

IUPAC2-(3,4-dichlorophenyl)-N-[1-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methylacetamide
SMILESCOc1ccccc1C(CN1CCCC1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H26Cl2N2O2/c1-25(22(27)14-16-9-10-18(23)19(24)13-16)20(15-26-11-5-6-12-26)17-7-3-4-8-21(17)28-2/h3-4,7-10,13,20H,5-6,11-12,14-15H2,1-2H3
InChIKeyKXDVBXVBZDIFHQ-UHFFFAOYSA-N
MW421.37 g/mol
LogP4.84
Rot. Bonds7

About 2-(3,4-dichlorophenyl)-N-[1-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methylacetamide

2-(3,4-dichlorophenyl)-N-[1-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methylacetamide (PubChem CID 15130844) has the molecular formula C22H26Cl2N2O2 and a molecular weight of 421.37 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-[1-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-[1-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methylacetamide
PubChem CID15130844
Molecular FormulaC22H26Cl2N2O2
Molecular Weight421.37 g/mol
Exact Mass420.14
IUPAC Name2-(3,4-dichlorophenyl)-N-[1-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methylacetamide
SMILESCOc1ccccc1C(CN1CCCC1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H26Cl2N2O2/c1-25(22(27)14-16-9-10-18(23)19(24)13-16)20(15-26-11-5-6-12-26)17-7-3-4-8-21(17)28-2/h3-4,7-10,13,20H,5-6,11-12,14-15H2,1-2H3
InChIKeyKXDVBXVBZDIFHQ-UHFFFAOYSA-N
XLogP4.84
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.37
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-[1-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methylacetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-[1-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methylacetamide (CID 15130844) is 2-(3,4-dichlorophenyl)-N-[1-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methylacetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-[1-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methylacetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-[1-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methylacetamide is COc1ccccc1C(CN1CCCC1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-[1-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methylacetamide?
The InChIKey is KXDVBXVBZDIFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2N2O2/c1-25(22(27)14-16-9-10-18(23)19(24)13-16)20(15-26-11-5-6-12-26)17-7-3-4-8-21(17)28-2/h3-4,7-10,13,20H,5-6,11-12,14-15H2,1-2H3.
What are the key properties of 2-(3,4-dichlorophenyl)-N-[1-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methylacetamide?
2-(3,4-dichlorophenyl)-N-[1-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methylacetamide has a molecular weight of 421.37 g/mol, XLogP of 4.84, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-[1-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methylacetamide is sourced from PubChem (CID 15130844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).