2-[2-[(1-benzylpyrrolidin-3-yl)amino]-2-oxoethoxy]-5-chlorobenzamide

C20H22ClN3O3 — CID 24598910

IUPAC2-[2-[(1-benzylpyrrolidin-3-yl)amino]-2-oxoethoxy]-5-chlorobenzamide
SMILESNC(=O)c1cc(Cl)ccc1OCC(=O)NC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C20H22ClN3O3/c21-15-6-7-18(17(10-15)20(22)26)27-13-19(25)23-16-8-9-24(12-16)11-14-4-2-1-3-5-14/h1-7,10,16H,8-9,11-13H2,(H2,22,26)(H,23,25)
InChIKeyNAWMASDNZNJHPQ-UHFFFAOYSA-N
MW387.87 g/mol
LogP2.21
Rot. Bonds7

About 2-[2-[(1-benzylpyrrolidin-3-yl)amino]-2-oxoethoxy]-5-chlorobenzamide

2-[2-[(1-benzylpyrrolidin-3-yl)amino]-2-oxoethoxy]-5-chlorobenzamide (PubChem CID 24598910) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is 2-[2-[(1-benzylpyrrolidin-3-yl)amino]-2-oxoethoxy]-5-chlorobenzamide.

Molecular Properties

Compound Name2-[2-[(1-benzylpyrrolidin-3-yl)amino]-2-oxoethoxy]-5-chlorobenzamide
PubChem CID24598910
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC Name2-[2-[(1-benzylpyrrolidin-3-yl)amino]-2-oxoethoxy]-5-chlorobenzamide
SMILESNC(=O)c1cc(Cl)ccc1OCC(=O)NC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C20H22ClN3O3/c21-15-6-7-18(17(10-15)20(22)26)27-13-19(25)23-16-8-9-24(12-16)11-14-4-2-1-3-5-14/h1-7,10,16H,8-9,11-13H2,(H2,22,26)(H,23,25)
InChIKeyNAWMASDNZNJHPQ-UHFFFAOYSA-N
XLogP2.21
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-[(1-benzylpyrrolidin-3-yl)amino]-2-oxoethoxy]-5-chlorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-benzylpyrrolidin-3-yl)-2-(2-chlorophenoxy)acetamide
CID 18156311
N-[(3S)-1-benzylpyrrolidin-3-yl]-2-(2-phenylphenoxy)acetamide
CID 41095172
N-(1-benzylpyrrolidin-3-yl)-5-chloro-2-fluorobenzamide
CID 18156432
N-(1-benzylpiperidin-4-yl)-2-(2-chloro-4-fluorophenoxy)acetamide
CID 17250306
2-(4-aminophenoxy)-N-(1-benzylpiperidin-3-yl)acetamide
CID 113239292
2-amino-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide
CID 93027730
2-(2-bromo-4-chlorophenoxy)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]acetamide
CID 24504200
N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]acetamide
CID 9137299
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(2-fluorophenoxy)acetamide
CID 8590108
N-(1-benzylpiperidin-4-yl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 29291844
5-chloro-2-[2-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethoxy]benzamide
CID 9362464
5-chloro-2-[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethoxy]benzamide
CID 11939659

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-benzylpyrrolidin-3-yl)amino]-2-oxoethoxy]-5-chlorobenzamide?
The IUPAC name of 2-[2-[(1-benzylpyrrolidin-3-yl)amino]-2-oxoethoxy]-5-chlorobenzamide (CID 24598910) is 2-[2-[(1-benzylpyrrolidin-3-yl)amino]-2-oxoethoxy]-5-chlorobenzamide.
What is the SMILES notation for 2-[2-[(1-benzylpyrrolidin-3-yl)amino]-2-oxoethoxy]-5-chlorobenzamide?
The canonical SMILES for 2-[2-[(1-benzylpyrrolidin-3-yl)amino]-2-oxoethoxy]-5-chlorobenzamide is NC(=O)c1cc(Cl)ccc1OCC(=O)NC1CCN(Cc2ccccc2)C1.
What is the InChIKey of 2-[2-[(1-benzylpyrrolidin-3-yl)amino]-2-oxoethoxy]-5-chlorobenzamide?
The InChIKey is NAWMASDNZNJHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3/c21-15-6-7-18(17(10-15)20(22)26)27-13-19(25)23-16-8-9-24(12-16)11-14-4-2-1-3-5-14/h1-7,10,16H,8-9,11-13H2,(H2,22,26)(H,23,25).
What are the key properties of 2-[2-[(1-benzylpyrrolidin-3-yl)amino]-2-oxoethoxy]-5-chlorobenzamide?
2-[2-[(1-benzylpyrrolidin-3-yl)amino]-2-oxoethoxy]-5-chlorobenzamide has a molecular weight of 387.87 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1-benzylpyrrolidin-3-yl)amino]-2-oxoethoxy]-5-chlorobenzamide is sourced from PubChem (CID 24598910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).