1-[2-(3-chlorophenyl)ethyl]-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide

C20H21ClN2O2 — CID 113185824

IUPAC1-[2-(3-chlorophenyl)ethyl]-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
SMILESCN(C(=O)C1CC(=O)N(CCc2cccc(Cl)c2)C1)c1ccccc1
InChIInChI=1S/C20H21ClN2O2/c1-22(18-8-3-2-4-9-18)20(25)16-13-19(24)23(14-16)11-10-15-6-5-7-17(21)12-15/h2-9,12,16H,10-11,13-14H2,1H3
InChIKeyDEPHOWMBBLWDGQ-UHFFFAOYSA-N
MW356.85 g/mol
LogP3.39
Rot. Bonds5

About 1-[2-(3-chlorophenyl)ethyl]-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide

1-[2-(3-chlorophenyl)ethyl]-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide (PubChem CID 113185824) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)ethyl]-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)ethyl]-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
PubChem CID113185824
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC Name1-[2-(3-chlorophenyl)ethyl]-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
SMILESCN(C(=O)C1CC(=O)N(CCc2cccc(Cl)c2)C1)c1ccccc1
InChIInChI=1S/C20H21ClN2O2/c1-22(18-8-3-2-4-9-18)20(25)16-13-19(24)23(14-16)11-10-15-6-5-7-17(21)12-15/h2-9,12,16H,10-11,13-14H2,1H3
InChIKeyDEPHOWMBBLWDGQ-UHFFFAOYSA-N
XLogP3.39
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-1-[2-(3-chlorophenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 113185793
4-chloro-1-[2-(3-chlorophenyl)ethyl]pyrrolidin-2-one
CID 168688652
(3S)-N-[(2-chlorophenyl)methyl]-N-methyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 30247534
N-methyl-5-oxo-1-(2-phenylethyl)-N-propan-2-ylpyrrolidine-3-carboxamide
CID 86920305
1-[2-(3-chlorophenyl)ethyl]-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
CID 113185869
1-[2-(3-chlorophenyl)ethyl]-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 113185837
N-[(3R)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]acetamide
CID 25378968
1-[2-(3-chlorophenyl)ethyl]-N-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113185875
1-[2-(3-chlorophenyl)ethyl]-N-cycloheptyl-5-oxopyrrolidine-3-carboxamide
CID 113185813
N-[2-(3-chlorophenyl)ethyl]-5-oxo-1-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 113185316
N-benzyl-1-[2-(4-chlorophenyl)ethyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 113185023
(4R)-4-acetyl-1-(2-phenylethyl)pyrrolidin-2-one
CID 71239800

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)ethyl]-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-(3-chlorophenyl)ethyl]-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide (CID 113185824) is 1-[2-(3-chlorophenyl)ethyl]-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-(3-chlorophenyl)ethyl]-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-(3-chlorophenyl)ethyl]-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide is CN(C(=O)C1CC(=O)N(CCc2cccc(Cl)c2)C1)c1ccccc1.
What is the InChIKey of 1-[2-(3-chlorophenyl)ethyl]-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide?
The InChIKey is DEPHOWMBBLWDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c1-22(18-8-3-2-4-9-18)20(25)16-13-19(24)23(14-16)11-10-15-6-5-7-17(21)12-15/h2-9,12,16H,10-11,13-14H2,1H3.
What are the key properties of 1-[2-(3-chlorophenyl)ethyl]-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide?
1-[2-(3-chlorophenyl)ethyl]-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide has a molecular weight of 356.85 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)ethyl]-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 113185824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).