2-(2-chlorophenyl)-N-(3-methoxypropyl)pyrrolidine-1-carboxamide

C15H21ClN2O2 — CID 47329902

IUPAC2-(2-chlorophenyl)-N-(3-methoxypropyl)pyrrolidine-1-carboxamide
SMILESCOCCCNC(=O)N1CCCC1c1ccccc1Cl
InChIInChI=1S/C15H21ClN2O2/c1-20-11-5-9-17-15(19)18-10-4-8-14(18)12-6-2-3-7-13(12)16/h2-3,6-7,14H,4-5,8-11H2,1H3,(H,17,19)
InChIKeyNAPMOESOEJYHDM-UHFFFAOYSA-N
MW296.80 g/mol
LogP3.22
Rot. Bonds5

About 2-(2-chlorophenyl)-N-(3-methoxypropyl)pyrrolidine-1-carboxamide

2-(2-chlorophenyl)-N-(3-methoxypropyl)pyrrolidine-1-carboxamide (PubChem CID 47329902) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(3-methoxypropyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-(3-methoxypropyl)pyrrolidine-1-carboxamide
PubChem CID47329902
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name2-(2-chlorophenyl)-N-(3-methoxypropyl)pyrrolidine-1-carboxamide
SMILESCOCCCNC(=O)N1CCCC1c1ccccc1Cl
InChIInChI=1S/C15H21ClN2O2/c1-20-11-5-9-17-15(19)18-10-4-8-14(18)12-6-2-3-7-13(12)16/h2-3,6-7,14H,4-5,8-11H2,1H3,(H,17,19)
InChIKeyNAPMOESOEJYHDM-UHFFFAOYSA-N
XLogP3.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2-chlorophenyl)-N-(3-methoxypropyl)pyrrolidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-(3-methoxypropyl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-(3-methoxypropyl)pyrrolidine-1-carboxamide (CID 47329902) is 2-(2-chlorophenyl)-N-(3-methoxypropyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-(3-methoxypropyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-(3-methoxypropyl)pyrrolidine-1-carboxamide is COCCCNC(=O)N1CCCC1c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-N-(3-methoxypropyl)pyrrolidine-1-carboxamide?
The InChIKey is NAPMOESOEJYHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-20-11-5-9-17-15(19)18-10-4-8-14(18)12-6-2-3-7-13(12)16/h2-3,6-7,14H,4-5,8-11H2,1H3,(H,17,19).
What are the key properties of 2-(2-chlorophenyl)-N-(3-methoxypropyl)pyrrolidine-1-carboxamide?
2-(2-chlorophenyl)-N-(3-methoxypropyl)pyrrolidine-1-carboxamide has a molecular weight of 296.80 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-(3-methoxypropyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 47329902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).