N-(4-chlorophenyl)-2-(3-pyrrolidin-1-ylpropylamino)acetamide

C15H22ClN3O — CID 60673794

IUPACN-(4-chlorophenyl)-2-(3-pyrrolidin-1-ylpropylamino)acetamide
SMILESO=C(CNCCCN1CCCC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H22ClN3O/c16-13-4-6-14(7-5-13)18-15(20)12-17-8-3-11-19-9-1-2-10-19/h4-7,17H,1-3,8-12H2,(H,18,20)
InChIKeyPJLYKSJYQCXLFG-UHFFFAOYSA-N
MW295.81 g/mol
LogP2.35
Rot. Bonds7

About N-(4-chlorophenyl)-2-(3-pyrrolidin-1-ylpropylamino)acetamide

N-(4-chlorophenyl)-2-(3-pyrrolidin-1-ylpropylamino)acetamide (PubChem CID 60673794) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(3-pyrrolidin-1-ylpropylamino)acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(3-pyrrolidin-1-ylpropylamino)acetamide
PubChem CID60673794
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC NameN-(4-chlorophenyl)-2-(3-pyrrolidin-1-ylpropylamino)acetamide
SMILESO=C(CNCCCN1CCCC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H22ClN3O/c16-13-4-6-14(7-5-13)18-15(20)12-17-8-3-11-19-9-1-2-10-19/h4-7,17H,1-3,8-12H2,(H,18,20)
InChIKeyPJLYKSJYQCXLFG-UHFFFAOYSA-N
XLogP2.35
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(4-chlorophenyl)-2-(3-pyrrolidin-1-ylpropylamino)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-chlorophenyl)-3-piperidin-1-ylpropanamide chloride
CID 45109691
N-(4-bromophenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide
CID 60660272
N-(3-chlorophenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide
CID 55023239
4-chloro-N-(3-pyrrolidin-1-ylpropyl)aniline
CID 61494408
2-(2-piperidin-1-ylethylamino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 43816687
N-[(4-chlorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28657714
N-(4-cyclohexylphenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide
CID 22448118
N-(4-chlorophenyl)-4-(2-pyrrolidin-1-ylethyl)benzamide
CID 70967822
N-[4-(3-pyrrolidin-1-ylpropylamino)phenyl]acetamide
CID 61494179
N-(2-chlorophenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide
CID 60660334
N-(4-chlorophenyl)-2-[2-(cyclopenten-1-yl)ethylamino]acetamide
CID 106174094
N-(4-chlorophenyl)-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108942039

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(3-pyrrolidin-1-ylpropylamino)acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-(3-pyrrolidin-1-ylpropylamino)acetamide (CID 60673794) is N-(4-chlorophenyl)-2-(3-pyrrolidin-1-ylpropylamino)acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(3-pyrrolidin-1-ylpropylamino)acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(3-pyrrolidin-1-ylpropylamino)acetamide is O=C(CNCCCN1CCCC1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-(3-pyrrolidin-1-ylpropylamino)acetamide?
The InChIKey is PJLYKSJYQCXLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c16-13-4-6-14(7-5-13)18-15(20)12-17-8-3-11-19-9-1-2-10-19/h4-7,17H,1-3,8-12H2,(H,18,20).
What are the key properties of N-(4-chlorophenyl)-2-(3-pyrrolidin-1-ylpropylamino)acetamide?
N-(4-chlorophenyl)-2-(3-pyrrolidin-1-ylpropylamino)acetamide has a molecular weight of 295.81 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(3-pyrrolidin-1-ylpropylamino)acetamide is sourced from PubChem (CID 60673794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).