N-(4-tert-butylphenyl)-1-(2-chloro-4,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide

C23H27ClN2O2 — CID 113187945

IUPACN-(4-tert-butylphenyl)-1-(2-chloro-4,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(C)c(N2CC(C(=O)Nc3ccc(C(C)(C)C)cc3)CC2=O)c(Cl)c1
InChIInChI=1S/C23H27ClN2O2/c1-14-10-15(2)21(19(24)11-14)26-13-16(12-20(26)27)22(28)25-18-8-6-17(7-9-18)23(3,4)5/h6-11,16H,12-13H2,1-5H3,(H,25,28)
InChIKeyLOLPECHHOIWHRK-UHFFFAOYSA-N
MW398.93 g/mol
LogP5.25
Rot. Bonds3

About N-(4-tert-butylphenyl)-1-(2-chloro-4,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide

N-(4-tert-butylphenyl)-1-(2-chloro-4,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 113187945) has the molecular formula C23H27ClN2O2 and a molecular weight of 398.93 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-1-(2-chloro-4,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-1-(2-chloro-4,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID113187945
Molecular FormulaC23H27ClN2O2
Molecular Weight398.93 g/mol
Exact Mass398.18
IUPAC NameN-(4-tert-butylphenyl)-1-(2-chloro-4,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(C)c(N2CC(C(=O)Nc3ccc(C(C)(C)C)cc3)CC2=O)c(Cl)c1
InChIInChI=1S/C23H27ClN2O2/c1-14-10-15(2)21(19(24)11-14)26-13-16(12-20(26)27)22(28)25-18-8-6-17(7-9-18)23(3,4)5/h6-11,16H,12-13H2,1-5H3,(H,25,28)
InChIKeyLOLPECHHOIWHRK-UHFFFAOYSA-N
XLogP5.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.93
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-tert-butylphenyl)-1-(2-chloro-4,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-chloro-4,6-dimethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 113187924
1-(2-chloro-4,6-dimethylphenyl)-N-(3-cyanophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113187973
N-(3-chloro-4-fluorophenyl)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
CID 113186795
methyl 4-[[5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carbonyl]amino]benzoate
CID 113186819
N-(2,4-dichlorophenyl)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
CID 113186830
1-(2-chloro-4,6-dimethylphenyl)-N-cycloheptyl-5-oxopyrrolidine-3-carboxamide
CID 113187915
ethyl 4-[[5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carbonyl]amino]benzoate
CID 113186826
N-(3-acetamidophenyl)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
CID 113186815
1-(3-chloro-4-methylphenyl)-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113187821
1-(3,5-dimethylphenyl)-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113186200
1-(4-tert-butylphenyl)-N-(4-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113187278
1-(2-chloro-4,6-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113187895

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-1-(2-chloro-4,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-1-(2-chloro-4,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 113187945) is N-(4-tert-butylphenyl)-1-(2-chloro-4,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-1-(2-chloro-4,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-1-(2-chloro-4,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1cc(C)c(N2CC(C(=O)Nc3ccc(C(C)(C)C)cc3)CC2=O)c(Cl)c1.
What is the InChIKey of N-(4-tert-butylphenyl)-1-(2-chloro-4,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is LOLPECHHOIWHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O2/c1-14-10-15(2)21(19(24)11-14)26-13-16(12-20(26)27)22(28)25-18-8-6-17(7-9-18)23(3,4)5/h6-11,16H,12-13H2,1-5H3,(H,25,28).
What are the key properties of N-(4-tert-butylphenyl)-1-(2-chloro-4,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-(4-tert-butylphenyl)-1-(2-chloro-4,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 398.93 g/mol, XLogP of 5.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-1-(2-chloro-4,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113187945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).