2-[benzyl(2-pyrrolidin-1-ylethyl)amino]-N-(2-chlorophenyl)acetamide;dihydrochloride

C21H28Cl3N3O — CID 11971642

IUPAC2-[benzyl(2-pyrrolidin-1-ylethyl)amino]-N-(2-chlorophenyl)acetamide;dihydrochloride
SMILESCl.Cl.O=C(CN(CCN1CCCC1)Cc1ccccc1)Nc1ccccc1Cl
InChIInChI=1S/C21H26ClN3O.2ClH/c22-19-10-4-5-11-20(19)23-21(26)17-25(15-14-24-12-6-7-13-24)16-18-8-2-1-3-9-18;;/h1-5,8-11H,6-7,12-17H2,(H,23,26);2*1H
InChIKeySMZWYAFASDSUIA-UHFFFAOYSA-N
MW444.83 g/mol
LogP4.72
Rot. Bonds8

About 2-[benzyl(2-pyrrolidin-1-ylethyl)amino]-N-(2-chlorophenyl)acetamide;dihydrochloride

2-[benzyl(2-pyrrolidin-1-ylethyl)amino]-N-(2-chlorophenyl)acetamide;dihydrochloride (PubChem CID 11971642) has the molecular formula C21H28Cl3N3O and a molecular weight of 444.83 g/mol. Its IUPAC name is 2-[benzyl(2-pyrrolidin-1-ylethyl)amino]-N-(2-chlorophenyl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-[benzyl(2-pyrrolidin-1-ylethyl)amino]-N-(2-chlorophenyl)acetamide;dihydrochloride
PubChem CID11971642
Molecular FormulaC21H28Cl3N3O
Molecular Weight444.83 g/mol
Exact Mass443.13
IUPAC Name2-[benzyl(2-pyrrolidin-1-ylethyl)amino]-N-(2-chlorophenyl)acetamide;dihydrochloride
SMILESCl.Cl.O=C(CN(CCN1CCCC1)Cc1ccccc1)Nc1ccccc1Cl
InChIInChI=1S/C21H26ClN3O.2ClH/c22-19-10-4-5-11-20(19)23-21(26)17-25(15-14-24-12-6-7-13-24)16-18-8-2-1-3-9-18;;/h1-5,8-11H,6-7,12-17H2,(H,23,26);2*1H
InChIKeySMZWYAFASDSUIA-UHFFFAOYSA-N
XLogP4.72
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.83
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl(2-pyrrolidin-1-ylethyl)amino]-N-(2-chloro-6-methylphenyl)acetamide
CID 24832590
N-(2-chlorophenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetamide
CID 11971646
2-[(4-chlorophenyl)methyl-(2-pyrrolidin-1-ylethyl)amino]-N-(2,6-dimethylphenyl)acetamide;dihydrochloride
CID 24832638
N-(2-chlorophenyl)-3-pyrrolidin-1-ylpropanamide;oxalic acid
CID 171154554
N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832355
N-(3-chloro-2-methylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetamide
CID 24832612
methyl 2-[benzyl-[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]acetate
CID 47050174
3-(4-benzylpiperazin-1-yl)-N-(2-chlorophenyl)propanamide
CID 1342605
N-(2-chlorophenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide
CID 60660334
N-(2-chlorophenyl)-2-[(4-cyanophenyl)methyl-propylamino]acetamide
CID 47056009
3-[benzyl(2-hydroxyethyl)amino]-N-(2-chlorophenyl)propanamide
CID 3787915
2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide
CID 2070988

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(2-pyrrolidin-1-ylethyl)amino]-N-(2-chlorophenyl)acetamide;dihydrochloride?
The IUPAC name of 2-[benzyl(2-pyrrolidin-1-ylethyl)amino]-N-(2-chlorophenyl)acetamide;dihydrochloride (CID 11971642) is 2-[benzyl(2-pyrrolidin-1-ylethyl)amino]-N-(2-chlorophenyl)acetamide;dihydrochloride.
What is the SMILES notation for 2-[benzyl(2-pyrrolidin-1-ylethyl)amino]-N-(2-chlorophenyl)acetamide;dihydrochloride?
The canonical SMILES for 2-[benzyl(2-pyrrolidin-1-ylethyl)amino]-N-(2-chlorophenyl)acetamide;dihydrochloride is Cl.Cl.O=C(CN(CCN1CCCC1)Cc1ccccc1)Nc1ccccc1Cl.
What is the InChIKey of 2-[benzyl(2-pyrrolidin-1-ylethyl)amino]-N-(2-chlorophenyl)acetamide;dihydrochloride?
The InChIKey is SMZWYAFASDSUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O.2ClH/c22-19-10-4-5-11-20(19)23-21(26)17-25(15-14-24-12-6-7-13-24)16-18-8-2-1-3-9-18;;/h1-5,8-11H,6-7,12-17H2,(H,23,26);2*1H.
What are the key properties of 2-[benzyl(2-pyrrolidin-1-ylethyl)amino]-N-(2-chlorophenyl)acetamide;dihydrochloride?
2-[benzyl(2-pyrrolidin-1-ylethyl)amino]-N-(2-chlorophenyl)acetamide;dihydrochloride has a molecular weight of 444.83 g/mol, XLogP of 4.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(2-pyrrolidin-1-ylethyl)amino]-N-(2-chlorophenyl)acetamide;dihydrochloride is sourced from PubChem (CID 11971642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).