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

C20H18ClN3O2 — CID 113187973

IUPAC1-(2-chloro-4,6-dimethylphenyl)-N-(3-cyanophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(C)c(N2CC(C(=O)Nc3cccc(C#N)c3)CC2=O)c(Cl)c1
InChIInChI=1S/C20H18ClN3O2/c1-12-6-13(2)19(17(21)7-12)24-11-15(9-18(24)25)20(26)23-16-5-3-4-14(8-16)10-22/h3-8,15H,9,11H2,1-2H3,(H,23,26)
InChIKeyQYWXANOVFRZIRR-UHFFFAOYSA-N
MW367.84 g/mol
LogP3.82
Rot. Bonds3

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

1-(2-chloro-4,6-dimethylphenyl)-N-(3-cyanophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 113187973) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is 1-(2-chloro-4,6-dimethylphenyl)-N-(3-cyanophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-chloro-4,6-dimethylphenyl)-N-(3-cyanophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID113187973
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Name1-(2-chloro-4,6-dimethylphenyl)-N-(3-cyanophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(C)c(N2CC(C(=O)Nc3cccc(C#N)c3)CC2=O)c(Cl)c1
InChIInChI=1S/C20H18ClN3O2/c1-12-6-13(2)19(17(21)7-12)24-11-15(9-18(24)25)20(26)23-16-5-3-4-14(8-16)10-22/h3-8,15H,9,11H2,1-2H3,(H,23,26)
InChIKeyQYWXANOVFRZIRR-UHFFFAOYSA-N
XLogP3.82
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-4,6-dimethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 113187924
(3R)-N-(3-cyanophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9245456
N-(3-acetamidophenyl)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
CID 113186815
N-(4-tert-butylphenyl)-1-(2-chloro-4,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113187945
N-(3-chloro-4-fluorophenyl)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
CID 113186795
N-(3-cyanophenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 113192666
1-(3-cyanophenyl)-N-(2,6-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113191969
(3S)-1-(2,6-dimethylphenyl)-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 124523127
N-(3-cyanophenyl)-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42946600
N-(2,4-dichlorophenyl)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
CID 113186830
ethyl 4-[4-[(3-cyanophenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113190636
(3S)-N-(4-cyanophenyl)-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 28892565

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,6-dimethylphenyl)-N-(3-cyanophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-chloro-4,6-dimethylphenyl)-N-(3-cyanophenyl)-5-oxopyrrolidine-3-carboxamide (CID 113187973) is 1-(2-chloro-4,6-dimethylphenyl)-N-(3-cyanophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-chloro-4,6-dimethylphenyl)-N-(3-cyanophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-chloro-4,6-dimethylphenyl)-N-(3-cyanophenyl)-5-oxopyrrolidine-3-carboxamide is Cc1cc(C)c(N2CC(C(=O)Nc3cccc(C#N)c3)CC2=O)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4,6-dimethylphenyl)-N-(3-cyanophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is QYWXANOVFRZIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c1-12-6-13(2)19(17(21)7-12)24-11-15(9-18(24)25)20(26)23-16-5-3-4-14(8-16)10-22/h3-8,15H,9,11H2,1-2H3,(H,23,26).
What are the key properties of 1-(2-chloro-4,6-dimethylphenyl)-N-(3-cyanophenyl)-5-oxopyrrolidine-3-carboxamide?
1-(2-chloro-4,6-dimethylphenyl)-N-(3-cyanophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 367.84 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4,6-dimethylphenyl)-N-(3-cyanophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113187973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).