N-(2-chlorophenyl)-3-pyrrolidin-1-ylpropanamide;oxalic acid

C15H19ClN2O5 — CID 171154554

IUPACN-(2-chlorophenyl)-3-pyrrolidin-1-ylpropanamide;oxalic acid
SMILESO=C(CCN1CCCC1)Nc1ccccc1Cl.O=C(O)C(=O)O
InChIInChI=1S/C13H17ClN2O.C2H2O4/c14-11-5-1-2-6-12(11)15-13(17)7-10-16-8-3-4-9-16;3-1(4)2(5)6/h1-2,5-6H,3-4,7-10H2,(H,15,17);(H,3,4)(H,5,6)
InChIKeyTVFKPUQVEBKACS-UHFFFAOYSA-N
MW342.78 g/mol
LogP1.92
Rot. Bonds4

About N-(2-chlorophenyl)-3-pyrrolidin-1-ylpropanamide;oxalic acid

N-(2-chlorophenyl)-3-pyrrolidin-1-ylpropanamide;oxalic acid (PubChem CID 171154554) has the molecular formula C15H19ClN2O5 and a molecular weight of 342.78 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-pyrrolidin-1-ylpropanamide;oxalic acid.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-pyrrolidin-1-ylpropanamide;oxalic acid
PubChem CID171154554
Molecular FormulaC15H19ClN2O5
Molecular Weight342.78 g/mol
Exact Mass342.10
IUPAC NameN-(2-chlorophenyl)-3-pyrrolidin-1-ylpropanamide;oxalic acid
SMILESO=C(CCN1CCCC1)Nc1ccccc1Cl.O=C(O)C(=O)O
InChIInChI=1S/C13H17ClN2O.C2H2O4/c14-11-5-1-2-6-12(11)15-13(17)7-10-16-8-3-4-9-16;3-1(4)2(5)6/h1-2,5-6H,3-4,7-10H2,(H,15,17);(H,3,4)(H,5,6)
InChIKeyTVFKPUQVEBKACS-UHFFFAOYSA-N
XLogP1.92
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-chlorophenyl)-3-pyrrolidin-1-ylpropanamide;oxalic acid 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

3-(4-benzylpiperazin-1-yl)-N-(2-chlorophenyl)propanamide
CID 1342605
3-(azepan-1-yl)-N-(3-chloro-2-methylphenyl)propanamide;oxalic acid
CID 171154314
N-(2-chlorophenyl)-3-(1,4-diazepan-1-yl)propanamide
CID 43340912
N-(2-chlorophenyl)-3-(3-methylpiperidin-1-yl)propanamide
CID 3145302
N-(2-fluorophenyl)-3-piperidin-1-ylpropanamide;oxalic acid
CID 171154607
3-(4-aminopiperidin-1-yl)-N-(2-chlorophenyl)propanamide
CID 43556671
N-(2-chlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide;oxalic acid
CID 171154563
N-(2-chlorophenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide
CID 60660334
N-(2-bromophenyl)-3-pyrrolidin-1-ylpropanamide
CID 47148429
N-(2-chlorophenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 24587396
N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832355
2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide
CID 2070988

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-pyrrolidin-1-ylpropanamide;oxalic acid?
The IUPAC name of N-(2-chlorophenyl)-3-pyrrolidin-1-ylpropanamide;oxalic acid (CID 171154554) is N-(2-chlorophenyl)-3-pyrrolidin-1-ylpropanamide;oxalic acid.
What is the SMILES notation for N-(2-chlorophenyl)-3-pyrrolidin-1-ylpropanamide;oxalic acid?
The canonical SMILES for N-(2-chlorophenyl)-3-pyrrolidin-1-ylpropanamide;oxalic acid is O=C(CCN1CCCC1)Nc1ccccc1Cl.O=C(O)C(=O)O.
What is the InChIKey of N-(2-chlorophenyl)-3-pyrrolidin-1-ylpropanamide;oxalic acid?
The InChIKey is TVFKPUQVEBKACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O.C2H2O4/c14-11-5-1-2-6-12(11)15-13(17)7-10-16-8-3-4-9-16;3-1(4)2(5)6/h1-2,5-6H,3-4,7-10H2,(H,15,17);(H,3,4)(H,5,6).
What are the key properties of N-(2-chlorophenyl)-3-pyrrolidin-1-ylpropanamide;oxalic acid?
N-(2-chlorophenyl)-3-pyrrolidin-1-ylpropanamide;oxalic acid has a molecular weight of 342.78 g/mol, XLogP of 1.92, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-pyrrolidin-1-ylpropanamide;oxalic acid is sourced from PubChem (CID 171154554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).