2-(3,4-dichlorophenyl)-N-[2-(3-methylpyrrolidin-1-yl)-1-phenylethyl]acetamide

C21H24Cl2N2O — CID 167031591

IUPAC2-(3,4-dichlorophenyl)-N-[2-(3-methylpyrrolidin-1-yl)-1-phenylethyl]acetamide
SMILESCC1CCN(CC(NC(=O)Cc2ccc(Cl)c(Cl)c2)c2ccccc2)C1
InChIInChI=1S/C21H24Cl2N2O/c1-15-9-10-25(13-15)14-20(17-5-3-2-4-6-17)24-21(26)12-16-7-8-18(22)19(23)11-16/h2-8,11,15,20H,9-10,12-14H2,1H3,(H,24,26)
InChIKeyALENNPLIAORJNS-UHFFFAOYSA-N
MW391.34 g/mol
LogP4.74
Rot. Bonds6

About 2-(3,4-dichlorophenyl)-N-[2-(3-methylpyrrolidin-1-yl)-1-phenylethyl]acetamide

2-(3,4-dichlorophenyl)-N-[2-(3-methylpyrrolidin-1-yl)-1-phenylethyl]acetamide (PubChem CID 167031591) has the molecular formula C21H24Cl2N2O and a molecular weight of 391.34 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-[2-(3-methylpyrrolidin-1-yl)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-[2-(3-methylpyrrolidin-1-yl)-1-phenylethyl]acetamide
PubChem CID167031591
Molecular FormulaC21H24Cl2N2O
Molecular Weight391.34 g/mol
Exact Mass390.13
IUPAC Name2-(3,4-dichlorophenyl)-N-[2-(3-methylpyrrolidin-1-yl)-1-phenylethyl]acetamide
SMILESCC1CCN(CC(NC(=O)Cc2ccc(Cl)c(Cl)c2)c2ccccc2)C1
InChIInChI=1S/C21H24Cl2N2O/c1-15-9-10-25(13-15)14-20(17-5-3-2-4-6-17)24-21(26)12-16-7-8-18(22)19(23)11-16/h2-8,11,15,20H,9-10,12-14H2,1H3,(H,24,26)
InChIKeyALENNPLIAORJNS-UHFFFAOYSA-N
XLogP4.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.34
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-[2-(3-methylpyrrolidin-1-yl)-1-phenylethyl]acetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-[2-(3-methylpyrrolidin-1-yl)-1-phenylethyl]acetamide (CID 167031591) is 2-(3,4-dichlorophenyl)-N-[2-(3-methylpyrrolidin-1-yl)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-[2-(3-methylpyrrolidin-1-yl)-1-phenylethyl]acetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-[2-(3-methylpyrrolidin-1-yl)-1-phenylethyl]acetamide is CC1CCN(CC(NC(=O)Cc2ccc(Cl)c(Cl)c2)c2ccccc2)C1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-[2-(3-methylpyrrolidin-1-yl)-1-phenylethyl]acetamide?
The InChIKey is ALENNPLIAORJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N2O/c1-15-9-10-25(13-15)14-20(17-5-3-2-4-6-17)24-21(26)12-16-7-8-18(22)19(23)11-16/h2-8,11,15,20H,9-10,12-14H2,1H3,(H,24,26).
What are the key properties of 2-(3,4-dichlorophenyl)-N-[2-(3-methylpyrrolidin-1-yl)-1-phenylethyl]acetamide?
2-(3,4-dichlorophenyl)-N-[2-(3-methylpyrrolidin-1-yl)-1-phenylethyl]acetamide has a molecular weight of 391.34 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-[2-(3-methylpyrrolidin-1-yl)-1-phenylethyl]acetamide is sourced from PubChem (CID 167031591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).