benzyl N-[1-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-N-methylcarbamate

C21H25ClN2O2 — CID 2760520

IUPACbenzyl N-[1-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-N-methylcarbamate
SMILESCN(C(=O)OCc1ccccc1)C(CN1CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C21H25ClN2O2/c1-23(21(25)26-16-17-7-3-2-4-8-17)20(15-24-13-5-6-14-24)18-9-11-19(22)12-10-18/h2-4,7-12,20H,5-6,13-16H2,1H3
InChIKeyNKFRUBGRRCMOOP-UHFFFAOYSA-N
MW372.90 g/mol
LogP4.75
Rot. Bonds6

About benzyl N-[1-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-N-methylcarbamate

benzyl N-[1-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-N-methylcarbamate (PubChem CID 2760520) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is benzyl N-[1-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-N-methylcarbamate.

Molecular Properties

Compound Namebenzyl N-[1-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-N-methylcarbamate
PubChem CID2760520
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC Namebenzyl N-[1-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-N-methylcarbamate
SMILESCN(C(=O)OCc1ccccc1)C(CN1CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C21H25ClN2O2/c1-23(21(25)26-16-17-7-3-2-4-8-17)20(15-24-13-5-6-14-24)18-9-11-19(22)12-10-18/h2-4,7-12,20H,5-6,13-16H2,1H3
InChIKeyNKFRUBGRRCMOOP-UHFFFAOYSA-N
XLogP4.75
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze benzyl N-[1-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-N-methylcarbamate 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 benzyl N-[1-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-N-methylcarbamate?
The IUPAC name of benzyl N-[1-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-N-methylcarbamate (CID 2760520) is benzyl N-[1-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-N-methylcarbamate.
What is the SMILES notation for benzyl N-[1-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-N-methylcarbamate?
The canonical SMILES for benzyl N-[1-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-N-methylcarbamate is CN(C(=O)OCc1ccccc1)C(CN1CCCC1)c1ccc(Cl)cc1.
What is the InChIKey of benzyl N-[1-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-N-methylcarbamate?
The InChIKey is NKFRUBGRRCMOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c1-23(21(25)26-16-17-7-3-2-4-8-17)20(15-24-13-5-6-14-24)18-9-11-19(22)12-10-18/h2-4,7-12,20H,5-6,13-16H2,1H3.
What are the key properties of benzyl N-[1-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-N-methylcarbamate?
benzyl N-[1-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-N-methylcarbamate has a molecular weight of 372.90 g/mol, XLogP of 4.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-N-methylcarbamate is sourced from PubChem (CID 2760520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).