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

C21H26ClN3O — CID 18088219

IUPAC2-[1-(2-chlorophenyl)ethylamino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
SMILESCc1cc(N2CCCC2)ccc1NC(=O)CNC(C)c1ccccc1Cl
InChIInChI=1S/C21H26ClN3O/c1-15-13-17(25-11-5-6-12-25)9-10-20(15)24-21(26)14-23-16(2)18-7-3-4-8-19(18)22/h3-4,7-10,13,16,23H,5-6,11-12,14H2,1-2H3,(H,24,26)
InChIKeyNCRUBWLMDUFLGS-UHFFFAOYSA-N
MW371.91 g/mol
LogP4.54
Rot. Bonds6

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

2-[1-(2-chlorophenyl)ethylamino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 18088219) has the molecular formula C21H26ClN3O and a molecular weight of 371.91 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)ethylamino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)ethylamino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
PubChem CID18088219
Molecular FormulaC21H26ClN3O
Molecular Weight371.91 g/mol
Exact Mass371.18
IUPAC Name2-[1-(2-chlorophenyl)ethylamino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
SMILESCc1cc(N2CCCC2)ccc1NC(=O)CNC(C)c1ccccc1Cl
InChIInChI=1S/C21H26ClN3O/c1-15-13-17(25-11-5-6-12-25)9-10-20(15)24-21(26)14-23-16(2)18-7-3-4-8-19(18)22/h3-4,7-10,13,16,23H,5-6,11-12,14H2,1-2H3,(H,24,26)
InChIKeyNCRUBWLMDUFLGS-UHFFFAOYSA-N
XLogP4.54
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.91
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[1-(2-chlorophenyl)ethylamino]-N-(2-methyl-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-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(2-methylphenyl)acetamide
CID 9306757
N-(5-chloro-2-methylphenyl)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 9306731
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(2,5-dichlorophenyl)acetamide
CID 9306788
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-(2-fluoro-4-methylphenyl)acetamide
CID 9307279
N-(2-bromo-4-methylphenyl)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 9307050
N-(5-chloro-2-fluorophenyl)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 9306583
2-(3-fluorophenyl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 42155264
2-(4-methylphenyl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 16563389
5-amino-4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pentanamide
CID 82013453
2-[1-(2-chlorophenyl)ethylamino]-N-(2,6-dichlorophenyl)acetamide
CID 18085946
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-1-pyrrolidin-1-ylethanone
CID 81378766
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-phenylacetamide
CID 32704244

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)ethylamino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-[1-(2-chlorophenyl)ethylamino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide (CID 18088219) is 2-[1-(2-chlorophenyl)ethylamino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[1-(2-chlorophenyl)ethylamino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-[1-(2-chlorophenyl)ethylamino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide is Cc1cc(N2CCCC2)ccc1NC(=O)CNC(C)c1ccccc1Cl.
What is the InChIKey of 2-[1-(2-chlorophenyl)ethylamino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is NCRUBWLMDUFLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O/c1-15-13-17(25-11-5-6-12-25)9-10-20(15)24-21(26)14-23-16(2)18-7-3-4-8-19(18)22/h3-4,7-10,13,16,23H,5-6,11-12,14H2,1-2H3,(H,24,26).
What are the key properties of 2-[1-(2-chlorophenyl)ethylamino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide?
2-[1-(2-chlorophenyl)ethylamino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 371.91 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorophenyl)ethylamino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 18088219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).