N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide

C23H24ClN3O3 — CID 42932599

IUPACN-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(N2CC(C(=O)Nc3ccc(N4CCCC4=O)c(Cl)c3)CC2=O)cc1
InChIInChI=1S/C23H24ClN3O3/c1-2-15-5-8-18(9-6-15)27-14-16(12-22(27)29)23(30)25-17-7-10-20(19(24)13-17)26-11-3-4-21(26)28/h5-10,13,16H,2-4,11-12,14H2,1H3,(H,25,30)
InChIKeyAGQPLUAVIAUZKQ-UHFFFAOYSA-N
MW425.92 g/mol
LogP4.02
Rot. Bonds5

About N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide

N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 42932599) has the molecular formula C23H24ClN3O3 and a molecular weight of 425.92 g/mol. Its IUPAC name is N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID42932599
Molecular FormulaC23H24ClN3O3
Molecular Weight425.92 g/mol
Exact Mass425.15
IUPAC NameN-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(N2CC(C(=O)Nc3ccc(N4CCCC4=O)c(Cl)c3)CC2=O)cc1
InChIInChI=1S/C23H24ClN3O3/c1-2-15-5-8-18(9-6-15)27-14-16(12-22(27)29)23(30)25-17-7-10-20(19(24)13-17)26-11-3-4-21(26)28/h5-10,13,16H,2-4,11-12,14H2,1H3,(H,25,30)
InChIKeyAGQPLUAVIAUZKQ-UHFFFAOYSA-N
XLogP4.02
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(4-bromo-3-chlorophenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 124528964
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18289629
N-(3,5-dichlorophenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17081984
(3R)-N-(4-chloro-3-nitrophenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9388767
(3S)-N-(3-ethylphenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7935157
(3R)-1-(4-ethylphenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 680412
(3S)-N-(4-ethylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 739797
1-(4-butylphenyl)-N-(3,4-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 23905377
1-(4-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 3116947
1-(4-ethylphenyl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3155517
N-(3-chloro-4-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3098865
1-(4-ethoxyphenyl)-5-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-carboxamide
CID 17498477

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 42932599) is N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide is CCc1ccc(N2CC(C(=O)Nc3ccc(N4CCCC4=O)c(Cl)c3)CC2=O)cc1.
What is the InChIKey of N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is AGQPLUAVIAUZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O3/c1-2-15-5-8-18(9-6-15)27-14-16(12-22(27)29)23(30)25-17-7-10-20(19(24)13-17)26-11-3-4-21(26)28/h5-10,13,16H,2-4,11-12,14H2,1H3,(H,25,30).
What are the key properties of N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 425.92 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 42932599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).