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

C21H23ClN2O2 — CID 113185041

IUPAC1-[2-(4-chlorophenyl)ethyl]-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccccc1NC(=O)C1CC(=O)N(CCc2ccc(Cl)cc2)C1
InChIInChI=1S/C21H23ClN2O2/c1-2-16-5-3-4-6-19(16)23-21(26)17-13-20(25)24(14-17)12-11-15-7-9-18(22)10-8-15/h3-10,17H,2,11-14H2,1H3,(H,23,26)
InChIKeyWJXZJBRMIHPOKZ-UHFFFAOYSA-N
MW370.88 g/mol
LogP3.93
Rot. Bonds6

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

1-[2-(4-chlorophenyl)ethyl]-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 113185041) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)ethyl]-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)ethyl]-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID113185041
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC Name1-[2-(4-chlorophenyl)ethyl]-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccccc1NC(=O)C1CC(=O)N(CCc2ccc(Cl)cc2)C1
InChIInChI=1S/C21H23ClN2O2/c1-2-16-5-3-4-6-19(16)23-21(26)17-13-20(25)24(14-17)12-11-15-7-9-18(22)10-8-15/h3-10,17H,2,11-14H2,1H3,(H,23,26)
InChIKeyWJXZJBRMIHPOKZ-UHFFFAOYSA-N
XLogP3.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-benzylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 4820474
N-(4-chlorophenyl)-1-[2-(4-chlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 2815650
1-[(4-chlorophenyl)methyl]-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 113183735
(3R)-N-(2,5-dichlorophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 26086140
(3S)-N-(5-chloro-2-methoxyphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 26094799
(3R)-N-(5-chloro-2-methylphenyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 7337070
(3R)-N-(2-fluoro-5-methylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 93250933
N-(3-chloro-4-methylphenyl)-1-[2-(4-chlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113185059
(3S)-N-(2-chloro-4-methylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 7926641
1-[2-(4-chlorophenyl)ethyl]-N-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113185071
1-[2-(3-chlorophenyl)ethyl]-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 113185837
N-(2,5-dichlorophenyl)-1-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113184308

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 113185041) is 1-[2-(4-chlorophenyl)ethyl]-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-(4-chlorophenyl)ethyl]-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-(4-chlorophenyl)ethyl]-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide is CCc1ccccc1NC(=O)C1CC(=O)N(CCc2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[2-(4-chlorophenyl)ethyl]-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is WJXZJBRMIHPOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c1-2-16-5-3-4-6-19(16)23-21(26)17-13-20(25)24(14-17)12-11-15-7-9-18(22)10-8-15/h3-10,17H,2,11-14H2,1H3,(H,23,26).
What are the key properties of 1-[2-(4-chlorophenyl)ethyl]-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
1-[2-(4-chlorophenyl)ethyl]-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 370.88 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)ethyl]-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113185041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).