2-(2-aminophenyl)-N-(4-pyrrolidin-1-ylphenyl)acetamide

C18H21N3O — CID 28712679

IUPAC2-(2-aminophenyl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESNc1ccccc1CC(=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C18H21N3O/c19-17-6-2-1-5-14(17)13-18(22)20-15-7-9-16(10-8-15)21-11-3-4-12-21/h1-2,5-10H,3-4,11-13,19H2,(H,20,22)
InChIKeyWOSGGWUEOZASCJ-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.05
Rot. Bonds4

About 2-(2-aminophenyl)-N-(4-pyrrolidin-1-ylphenyl)acetamide

2-(2-aminophenyl)-N-(4-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 28712679) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-(2-aminophenyl)-N-(4-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-aminophenyl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
PubChem CID28712679
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name2-(2-aminophenyl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESNc1ccccc1CC(=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C18H21N3O/c19-17-6-2-1-5-14(17)13-18(22)20-15-7-9-16(10-8-15)21-11-3-4-12-21/h1-2,5-10H,3-4,11-13,19H2,(H,20,22)
InChIKeyWOSGGWUEOZASCJ-UHFFFAOYSA-N
XLogP3.05
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-aminophenyl)-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

N-[4-(azepan-1-yl)phenyl]-2-phenylacetamide
CID 16620353
2-(3-aminophenyl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 28712283
2-(2-methylphenyl)-N-[4-(4-phenylpiperazin-1-yl)phenyl]acetamide
CID 112983952
2-(1,3-benzodioxol-4-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 110862145
2-bromo-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 63680073
2-(2-ethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 37480616
3-[(2-fluorophenyl)methylamino]-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109020960
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110409810
N-[4-(azepan-1-yl)phenyl]-2-(4-methylphenyl)acetamide
CID 112985752
2-(aminomethyl)-N-(4-piperidin-1-ylphenyl)benzamide
CID 110451835
3-[(2-fluorophenyl)methylamino]-N-(4-piperidin-1-ylphenyl)propanamide
CID 109020961
N-phenyl-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109033848

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(2-aminophenyl)-N-(4-pyrrolidin-1-ylphenyl)acetamide (CID 28712679) is 2-(2-aminophenyl)-N-(4-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(2-aminophenyl)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(2-aminophenyl)-N-(4-pyrrolidin-1-ylphenyl)acetamide is Nc1ccccc1CC(=O)Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of 2-(2-aminophenyl)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is WOSGGWUEOZASCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c19-17-6-2-1-5-14(17)13-18(22)20-15-7-9-16(10-8-15)21-11-3-4-12-21/h1-2,5-10H,3-4,11-13,19H2,(H,20,22).
What are the key properties of 2-(2-aminophenyl)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
2-(2-aminophenyl)-N-(4-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 295.39 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-N-(4-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 28712679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).