1-[2-(2,4-dichlorophenyl)ethyl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C20H20Cl2N2O2 — CID 113185915

IUPAC1-[2-(2,4-dichlorophenyl)ethyl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccc(NC(=O)C2CC(=O)N(CCc3ccc(Cl)cc3Cl)C2)c1
InChIInChI=1S/C20H20Cl2N2O2/c1-13-3-2-4-17(9-13)23-20(26)15-10-19(25)24(12-15)8-7-14-5-6-16(21)11-18(14)22/h2-6,9,11,15H,7-8,10,12H2,1H3,(H,23,26)
InChIKeyZNYPZJJQOHLJOO-UHFFFAOYSA-N
MW391.30 g/mol
LogP4.33
Rot. Bonds5

About 1-[2-(2,4-dichlorophenyl)ethyl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide

1-[2-(2,4-dichlorophenyl)ethyl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 113185915) has the molecular formula C20H20Cl2N2O2 and a molecular weight of 391.30 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenyl)ethyl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenyl)ethyl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID113185915
Molecular FormulaC20H20Cl2N2O2
Molecular Weight391.30 g/mol
Exact Mass390.09
IUPAC Name1-[2-(2,4-dichlorophenyl)ethyl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccc(NC(=O)C2CC(=O)N(CCc3ccc(Cl)cc3Cl)C2)c1
InChIInChI=1S/C20H20Cl2N2O2/c1-13-3-2-4-17(9-13)23-20(26)15-10-19(25)24(12-15)8-7-14-5-6-16(21)11-18(14)22/h2-6,9,11,15H,7-8,10,12H2,1H3,(H,23,26)
InChIKeyZNYPZJJQOHLJOO-UHFFFAOYSA-N
XLogP4.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.30
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2,4-dichlorophenyl)ethyl]-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 113185877
1-[2-(1H-indol-3-yl)ethyl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113184907
methyl 1-[2-(2,4-dichlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxylate
CID 168694167
1-[2-(2,4-dichlorophenyl)ethyl]-N-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113185893
1-[2-(3,4-dimethoxyphenyl)ethyl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 43010153
1-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 50745087
N-(3-chloro-4-methylphenyl)-1-[2-(4-chlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113185059
1-[2-(4-chlorophenyl)ethyl]-N-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113185071
N-(3-bromophenyl)-1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 50745085
1-[2-(3-chlorophenyl)ethyl]-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113185855
N-(3,5-dichlorophenyl)-1-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113184309
1-[2-(4-chlorophenyl)ethyl]-N-(3-cyanophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113185077

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichlorophenyl)ethyl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-(2,4-dichlorophenyl)ethyl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 113185915) is 1-[2-(2,4-dichlorophenyl)ethyl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-(2,4-dichlorophenyl)ethyl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-(2,4-dichlorophenyl)ethyl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1cccc(NC(=O)C2CC(=O)N(CCc3ccc(Cl)cc3Cl)C2)c1.
What is the InChIKey of 1-[2-(2,4-dichlorophenyl)ethyl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZNYPZJJQOHLJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O2/c1-13-3-2-4-17(9-13)23-20(26)15-10-19(25)24(12-15)8-7-14-5-6-16(21)11-18(14)22/h2-6,9,11,15H,7-8,10,12H2,1H3,(H,23,26).
What are the key properties of 1-[2-(2,4-dichlorophenyl)ethyl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
1-[2-(2,4-dichlorophenyl)ethyl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 391.30 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichlorophenyl)ethyl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113185915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).