1-[2-(4-chlorophenyl)ethyl]-N-(3-cyanophenyl)-5-oxopyrrolidine-3-carboxamide

C20H18ClN3O2 — CID 113185077

IUPAC1-[2-(4-chlorophenyl)ethyl]-N-(3-cyanophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESN#Cc1cccc(NC(=O)C2CC(=O)N(CCc3ccc(Cl)cc3)C2)c1
InChIInChI=1S/C20H18ClN3O2/c21-17-6-4-14(5-7-17)8-9-24-13-16(11-19(24)25)20(26)23-18-3-1-2-15(10-18)12-22/h1-7,10,16H,8-9,11,13H2,(H,23,26)
InChIKeyGOQCFBJFNYMBIE-UHFFFAOYSA-N
MW367.84 g/mol
LogP3.24
Rot. Bonds5

About 1-[2-(4-chlorophenyl)ethyl]-N-(3-cyanophenyl)-5-oxopyrrolidine-3-carboxamide

1-[2-(4-chlorophenyl)ethyl]-N-(3-cyanophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 113185077) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)ethyl]-N-(3-cyanophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)ethyl]-N-(3-cyanophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID113185077
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Name1-[2-(4-chlorophenyl)ethyl]-N-(3-cyanophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESN#Cc1cccc(NC(=O)C2CC(=O)N(CCc3ccc(Cl)cc3)C2)c1
InChIInChI=1S/C20H18ClN3O2/c21-17-6-4-14(5-7-17)8-9-24-13-16(11-19(24)25)20(26)23-18-3-1-2-15(10-18)12-22/h1-7,10,16H,8-9,11,13H2,(H,23,26)
InChIKeyGOQCFBJFNYMBIE-UHFFFAOYSA-N
XLogP3.24
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-chlorophenyl)ethyl]-N-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113185071
N-(3-cyanophenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 51143300
N-(4-chlorophenyl)-1-[2-(4-chlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 2815650
N-(3-chloro-4-methylphenyl)-1-[2-(4-chlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113185059
1-[(4-chlorophenyl)methyl]-N-(3-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42650919
(3R)-N-(3-acetamidophenyl)-1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 29130415
[(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] (3R)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
CID 7898561
1-[2-(3-chlorophenyl)ethyl]-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113185855
1-[2-(4-chlorophenyl)ethyl]-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113185041
1-[2-(4-chlorophenyl)ethyl]-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 113185012
N-[3-[(dimethylamino)methyl]phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 86931938
1-[2-(2,4-dichlorophenyl)ethyl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113185915

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-N-(3-cyanophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-N-(3-cyanophenyl)-5-oxopyrrolidine-3-carboxamide (CID 113185077) is 1-[2-(4-chlorophenyl)ethyl]-N-(3-cyanophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-(4-chlorophenyl)ethyl]-N-(3-cyanophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-(4-chlorophenyl)ethyl]-N-(3-cyanophenyl)-5-oxopyrrolidine-3-carboxamide is N#Cc1cccc(NC(=O)C2CC(=O)N(CCc3ccc(Cl)cc3)C2)c1.
What is the InChIKey of 1-[2-(4-chlorophenyl)ethyl]-N-(3-cyanophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is GOQCFBJFNYMBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c21-17-6-4-14(5-7-17)8-9-24-13-16(11-19(24)25)20(26)23-18-3-1-2-15(10-18)12-22/h1-7,10,16H,8-9,11,13H2,(H,23,26).
What are the key properties of 1-[2-(4-chlorophenyl)ethyl]-N-(3-cyanophenyl)-5-oxopyrrolidine-3-carboxamide?
1-[2-(4-chlorophenyl)ethyl]-N-(3-cyanophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 367.84 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)ethyl]-N-(3-cyanophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113185077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).