2-[(3-chlorophenyl)methyl-ethylamino]-N-(4-pyrrolidin-1-ylphenyl)acetamide

C21H26ClN3O — CID 52682345

IUPAC2-[(3-chlorophenyl)methyl-ethylamino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccc(N2CCCC2)cc1)Cc1cccc(Cl)c1
InChIInChI=1S/C21H26ClN3O/c1-2-24(15-17-6-5-7-18(22)14-17)16-21(26)23-19-8-10-20(11-9-19)25-12-3-4-13-25/h5-11,14H,2-4,12-13,15-16H2,1H3,(H,23,26)
InChIKeyIZFQCTCUAYEGTM-UHFFFAOYSA-N
MW371.91 g/mol
LogP4.40
Rot. Bonds7

About 2-[(3-chlorophenyl)methyl-ethylamino]-N-(4-pyrrolidin-1-ylphenyl)acetamide

2-[(3-chlorophenyl)methyl-ethylamino]-N-(4-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 52682345) has the molecular formula C21H26ClN3O and a molecular weight of 371.91 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl-ethylamino]-N-(4-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl-ethylamino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
PubChem CID52682345
Molecular FormulaC21H26ClN3O
Molecular Weight371.91 g/mol
Exact Mass371.18
IUPAC Name2-[(3-chlorophenyl)methyl-ethylamino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccc(N2CCCC2)cc1)Cc1cccc(Cl)c1
InChIInChI=1S/C21H26ClN3O/c1-2-24(15-17-6-5-7-18(22)14-17)16-21(26)23-19-8-10-20(11-9-19)25-12-3-4-13-25/h5-11,14H,2-4,12-13,15-16H2,1H3,(H,23,26)
InChIKeyIZFQCTCUAYEGTM-UHFFFAOYSA-N
XLogP4.40
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.91
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 2-[(3-chlorophenyl)methyl-ethylamino]-N-(4-pyrrolidin-1-ylphenyl)acetamide 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

2-(diethylamino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 51178920
2-[(3-chlorophenyl)methyl-ethylamino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 52682337
2-[ethyl(2-hydroxyethyl)amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 31994583
2-[ethyl(2-hydroxyethyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 110881174
N-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]propanamide
CID 112984512
N-tert-butyl-2-[(3-chlorophenyl)methyl-ethylamino]acetamide
CID 78791266
2-[(3-chlorophenyl)methyl-ethylamino]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
CID 87014305
2-[(3-chlorophenyl)methyl-ethylamino]-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide
CID 55741970
N'-benzyl-N'-ethyl-N-(4-piperidin-1-ylphenyl)propanediamide
CID 108947396
N-benzyl-2-[(3-chlorophenyl)methyl-ethylamino]acetamide
CID 52682333
2-[(4-cyanophenyl)methyl-propylamino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 55841564
2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 113162820

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl-ethylamino]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-[(3-chlorophenyl)methyl-ethylamino]-N-(4-pyrrolidin-1-ylphenyl)acetamide (CID 52682345) is 2-[(3-chlorophenyl)methyl-ethylamino]-N-(4-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl-ethylamino]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-[(3-chlorophenyl)methyl-ethylamino]-N-(4-pyrrolidin-1-ylphenyl)acetamide is CCN(CC(=O)Nc1ccc(N2CCCC2)cc1)Cc1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl-ethylamino]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is IZFQCTCUAYEGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O/c1-2-24(15-17-6-5-7-18(22)14-17)16-21(26)23-19-8-10-20(11-9-19)25-12-3-4-13-25/h5-11,14H,2-4,12-13,15-16H2,1H3,(H,23,26).
What are the key properties of 2-[(3-chlorophenyl)methyl-ethylamino]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
2-[(3-chlorophenyl)methyl-ethylamino]-N-(4-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 371.91 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl-ethylamino]-N-(4-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 52682345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).