2-(4-chlorophenyl)-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)acetamide

C22H26ClN3O2 — CID 110400406

IUPAC2-(4-chlorophenyl)-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1cc(N2CCOCC2)ccc1N1CCCC1
InChIInChI=1S/C22H26ClN3O2/c23-18-5-3-17(4-6-18)15-22(27)24-20-16-19(25-11-13-28-14-12-25)7-8-21(20)26-9-1-2-10-26/h3-8,16H,1-2,9-15H2,(H,24,27)
InChIKeyYSNNKSPWKPAYLJ-UHFFFAOYSA-N
MW399.92 g/mol
LogP3.96
Rot. Bonds5

About 2-(4-chlorophenyl)-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)acetamide

2-(4-chlorophenyl)-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 110400406) has the molecular formula C22H26ClN3O2 and a molecular weight of 399.92 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)acetamide
PubChem CID110400406
Molecular FormulaC22H26ClN3O2
Molecular Weight399.92 g/mol
Exact Mass399.17
IUPAC Name2-(4-chlorophenyl)-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1cc(N2CCOCC2)ccc1N1CCCC1
InChIInChI=1S/C22H26ClN3O2/c23-18-5-3-17(4-6-18)15-22(27)24-20-16-19(25-11-13-28-14-12-25)7-8-21(20)26-9-1-2-10-26/h3-8,16H,1-2,9-15H2,(H,24,27)
InChIKeyYSNNKSPWKPAYLJ-UHFFFAOYSA-N
XLogP3.96
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-chlorophenyl)-N-(5-morpholin-4-yl-2-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-(4-chlorophenyl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 5129808
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-phenylacetamide
CID 7406867
2-(4-chlorophenyl)-N-(2-methoxy-5-pyrrolidin-1-ylphenyl)acetamide
CID 110362005
2-chloro-N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)benzamide
CID 110400474
N-(2-fluoro-5-morpholin-4-ylphenyl)-2-phenylacetamide
CID 110362608
2-(4-methylphenoxy)-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)acetamide
CID 110400419
2-(4-morpholin-4-ylphenyl)-N-(2,3,4-trifluorophenyl)acetamide
CID 110428777
benzyl N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)carbamate
CID 110400424
2-fluoro-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide
CID 110400396
N-(2-chlorophenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110649990
N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 110400478
N-(5-chloro-2-morpholin-4-ylphenyl)-2-(4-chlorophenoxy)acetamide
CID 4665478

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)acetamide (CID 110400406) is 2-(4-chlorophenyl)-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)acetamide is O=C(Cc1ccc(Cl)cc1)Nc1cc(N2CCOCC2)ccc1N1CCCC1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is YSNNKSPWKPAYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O2/c23-18-5-3-17(4-6-18)15-22(27)24-20-16-19(25-11-13-28-14-12-25)7-8-21(20)26-9-1-2-10-26/h3-8,16H,1-2,9-15H2,(H,24,27).
What are the key properties of 2-(4-chlorophenyl)-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)acetamide?
2-(4-chlorophenyl)-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 399.92 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 110400406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).