(2-chlorophenyl)methyl 1-acetyl-2-benzylpyrrolidine-2-carboxylate

C21H22ClNO3 — CID 46884835

IUPAC(2-chlorophenyl)methyl 1-acetyl-2-benzylpyrrolidine-2-carboxylate
SMILESCC(=O)N1CCCC1(Cc1ccccc1)C(=O)OCc1ccccc1Cl
InChIInChI=1S/C21H22ClNO3/c1-16(24)23-13-7-12-21(23,14-17-8-3-2-4-9-17)20(25)26-15-18-10-5-6-11-19(18)22/h2-6,8-11H,7,12-15H2,1H3
InChIKeyRNZARZIVIVVFRK-UHFFFAOYSA-N
MW371.86 g/mol
LogP4.01
Rot. Bonds5

About (2-chlorophenyl)methyl 1-acetyl-2-benzylpyrrolidine-2-carboxylate

(2-chlorophenyl)methyl 1-acetyl-2-benzylpyrrolidine-2-carboxylate (PubChem CID 46884835) has the molecular formula C21H22ClNO3 and a molecular weight of 371.86 g/mol. Its IUPAC name is (2-chlorophenyl)methyl 1-acetyl-2-benzylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Name(2-chlorophenyl)methyl 1-acetyl-2-benzylpyrrolidine-2-carboxylate
PubChem CID46884835
Molecular FormulaC21H22ClNO3
Molecular Weight371.86 g/mol
Exact Mass371.13
IUPAC Name(2-chlorophenyl)methyl 1-acetyl-2-benzylpyrrolidine-2-carboxylate
SMILESCC(=O)N1CCCC1(Cc1ccccc1)C(=O)OCc1ccccc1Cl
InChIInChI=1S/C21H22ClNO3/c1-16(24)23-13-7-12-21(23,14-17-8-3-2-4-9-17)20(25)26-15-18-10-5-6-11-19(18)22/h2-6,8-11H,7,12-15H2,1H3
InChIKeyRNZARZIVIVVFRK-UHFFFAOYSA-N
XLogP4.01
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.86
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2-chlorophenyl)methyl 1-acetyl-2-benzylpyrrolidine-2-carboxylate 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-chlorophenyl)methyl 1-acetyl-2-benzylpyrrolidine-2-carboxylate?
The IUPAC name of (2-chlorophenyl)methyl 1-acetyl-2-benzylpyrrolidine-2-carboxylate (CID 46884835) is (2-chlorophenyl)methyl 1-acetyl-2-benzylpyrrolidine-2-carboxylate.
What is the SMILES notation for (2-chlorophenyl)methyl 1-acetyl-2-benzylpyrrolidine-2-carboxylate?
The canonical SMILES for (2-chlorophenyl)methyl 1-acetyl-2-benzylpyrrolidine-2-carboxylate is CC(=O)N1CCCC1(Cc1ccccc1)C(=O)OCc1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)methyl 1-acetyl-2-benzylpyrrolidine-2-carboxylate?
The InChIKey is RNZARZIVIVVFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClNO3/c1-16(24)23-13-7-12-21(23,14-17-8-3-2-4-9-17)20(25)26-15-18-10-5-6-11-19(18)22/h2-6,8-11H,7,12-15H2,1H3.
What are the key properties of (2-chlorophenyl)methyl 1-acetyl-2-benzylpyrrolidine-2-carboxylate?
(2-chlorophenyl)methyl 1-acetyl-2-benzylpyrrolidine-2-carboxylate has a molecular weight of 371.86 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)methyl 1-acetyl-2-benzylpyrrolidine-2-carboxylate is sourced from PubChem (CID 46884835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).