N-(2,6-dichlorophenyl)-1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C20H20Cl2N2O2 — CID 113186499

IUPACN-(2,6-dichlorophenyl)-1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1cccc(C)c1N1CC(C(=O)Nc2c(Cl)cccc2Cl)CC1=O
InChIInChI=1S/C20H20Cl2N2O2/c1-3-13-7-4-6-12(2)19(13)24-11-14(10-17(24)25)20(26)23-18-15(21)8-5-9-16(18)22/h4-9,14H,3,10-11H2,1-2H3,(H,23,26)
InChIKeyPCSLUOYJAXCGJO-UHFFFAOYSA-N
MW391.30 g/mol
LogP4.86
Rot. Bonds4

About N-(2,6-dichlorophenyl)-1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide

N-(2,6-dichlorophenyl)-1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 113186499) has the molecular formula C20H20Cl2N2O2 and a molecular weight of 391.30 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID113186499
Molecular FormulaC20H20Cl2N2O2
Molecular Weight391.30 g/mol
Exact Mass390.09
IUPAC NameN-(2,6-dichlorophenyl)-1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1cccc(C)c1N1CC(C(=O)Nc2c(Cl)cccc2Cl)CC1=O
InChIInChI=1S/C20H20Cl2N2O2/c1-3-13-7-4-6-12(2)19(13)24-11-14(10-17(24)25)20(26)23-18-15(21)8-5-9-16(18)22/h4-9,14H,3,10-11H2,1-2H3,(H,23,26)
InChIKeyPCSLUOYJAXCGJO-UHFFFAOYSA-N
XLogP4.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.30
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-(2-chlorophenyl)-1-(2,6-diethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056331
(3R)-1-(2,6-diethylphenyl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056356
1-(2-ethyl-6-methylphenyl)-N-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186454
N-(2-ethoxyphenyl)-1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186469
ethyl 2-[[1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 113186501
N-cyclohexyl-1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186367
N-(3-chloro-2-methylphenyl)-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 84916553
N-(2-chloro-6-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 5024775
(3R)-1-(2,6-dimethylphenyl)-N-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 124523130
N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108768488
(3R)-1-[(2-chlorophenyl)methyl]-N-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8761573
(3R)-1-(2,6-diethylphenyl)-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056326

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2,6-dichlorophenyl)-1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 113186499) is N-(2,6-dichlorophenyl)-1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide is CCc1cccc(C)c1N1CC(C(=O)Nc2c(Cl)cccc2Cl)CC1=O.
What is the InChIKey of N-(2,6-dichlorophenyl)-1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is PCSLUOYJAXCGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O2/c1-3-13-7-4-6-12(2)19(13)24-11-14(10-17(24)25)20(26)23-18-15(21)8-5-9-16(18)22/h4-9,14H,3,10-11H2,1-2H3,(H,23,26).
What are the key properties of N-(2,6-dichlorophenyl)-1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-(2,6-dichlorophenyl)-1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 391.30 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113186499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).