1-(2,5-dichlorophenyl)-5-oxo-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide

C20H20Cl2N2O2 — CID 113191086

IUPAC1-(2,5-dichlorophenyl)-5-oxo-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
SMILESCc1cc(C)c(NC(=O)C2CC(=O)N(c3cc(Cl)ccc3Cl)C2)c(C)c1
InChIInChI=1S/C20H20Cl2N2O2/c1-11-6-12(2)19(13(3)7-11)23-20(26)14-8-18(25)24(10-14)17-9-15(21)4-5-16(17)22/h4-7,9,14H,8,10H2,1-3H3,(H,23,26)
InChIKeyNSGMQENJPUDGPT-UHFFFAOYSA-N
MW391.30 g/mol
LogP4.91
Rot. Bonds3

About 1-(2,5-dichlorophenyl)-5-oxo-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide

1-(2,5-dichlorophenyl)-5-oxo-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide (PubChem CID 113191086) has the molecular formula C20H20Cl2N2O2 and a molecular weight of 391.30 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-5-oxo-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-5-oxo-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
PubChem CID113191086
Molecular FormulaC20H20Cl2N2O2
Molecular Weight391.30 g/mol
Exact Mass390.09
IUPAC Name1-(2,5-dichlorophenyl)-5-oxo-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
SMILESCc1cc(C)c(NC(=O)C2CC(=O)N(c3cc(Cl)ccc3Cl)C2)c(C)c1
InChIInChI=1S/C20H20Cl2N2O2/c1-11-6-12(2)19(13(3)7-11)23-20(26)14-8-18(25)24(10-14)17-9-15(21)4-5-16(17)22/h4-7,9,14H,8,10H2,1-3H3,(H,23,26)
InChIKeyNSGMQENJPUDGPT-UHFFFAOYSA-N
XLogP4.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.30
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-(2,5-dichlorophenyl)-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004637
(3R)-1-(3-chloro-2-methylphenyl)-5-oxo-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
CID 7325420
1-(5-chloro-2-methylphenyl)-N-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113187608
1-(3-chlorophenyl)-5-oxo-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
CID 17322003
(3R)-N-(4-acetamidophenyl)-1-(2,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004647
N-(2-chloro-4,6-dimethylphenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113185945
(3R)-1-(2-chlorophenyl)-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-3-carboxamide
CID 27782863
(3S)-1-(2,5-dichlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 29136259
N-(2-chloro-4,6-dimethylphenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186325
N-(2,4-dichlorophenyl)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
CID 113186830
N-(2-chloro-4,6-dimethylphenyl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186151
N-(4-chloro-2-methylphenyl)-1-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186061

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-5-oxo-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,5-dichlorophenyl)-5-oxo-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide (CID 113191086) is 1-(2,5-dichlorophenyl)-5-oxo-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-5-oxo-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,5-dichlorophenyl)-5-oxo-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide is Cc1cc(C)c(NC(=O)C2CC(=O)N(c3cc(Cl)ccc3Cl)C2)c(C)c1.
What is the InChIKey of 1-(2,5-dichlorophenyl)-5-oxo-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is NSGMQENJPUDGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O2/c1-11-6-12(2)19(13(3)7-11)23-20(26)14-8-18(25)24(10-14)17-9-15(21)4-5-16(17)22/h4-7,9,14H,8,10H2,1-3H3,(H,23,26).
What are the key properties of 1-(2,5-dichlorophenyl)-5-oxo-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide?
1-(2,5-dichlorophenyl)-5-oxo-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 391.30 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-5-oxo-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 113191086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).