1-(2-chloro-4,6-dimethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide

C19H19ClN2O2 — CID 113187924

IUPAC1-(2-chloro-4,6-dimethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
SMILESCc1cc(C)c(N2CC(C(=O)Nc3ccccc3)CC2=O)c(Cl)c1
InChIInChI=1S/C19H19ClN2O2/c1-12-8-13(2)18(16(20)9-12)22-11-14(10-17(22)23)19(24)21-15-6-4-3-5-7-15/h3-9,14H,10-11H2,1-2H3,(H,21,24)
InChIKeyWTUKPRGIMOOFOI-UHFFFAOYSA-N
MW342.83 g/mol
LogP3.95
Rot. Bonds3

About 1-(2-chloro-4,6-dimethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide

1-(2-chloro-4,6-dimethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide (PubChem CID 113187924) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 1-(2-chloro-4,6-dimethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-chloro-4,6-dimethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
PubChem CID113187924
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name1-(2-chloro-4,6-dimethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
SMILESCc1cc(C)c(N2CC(C(=O)Nc3ccccc3)CC2=O)c(Cl)c1
InChIInChI=1S/C19H19ClN2O2/c1-12-8-13(2)18(16(20)9-12)22-11-14(10-17(22)23)19(24)21-15-6-4-3-5-7-15/h3-9,14H,10-11H2,1-2H3,(H,21,24)
InChIKeyWTUKPRGIMOOFOI-UHFFFAOYSA-N
XLogP3.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-tert-butylphenyl)-1-(2-chloro-4,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113187945
1-(2-chloro-4,6-dimethylphenyl)-N-(3-cyanophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113187973
N-(3-acetamidophenyl)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
CID 113186815
N-(3-chloro-4-fluorophenyl)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
CID 113186795
N-(2,4-dichlorophenyl)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
CID 113186830
(3S)-1-(2-chlorophenyl)-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 26721715
(3S)-1-(2,6-dimethylphenyl)-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 124523127
methyl 4-[[5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carbonyl]amino]benzoate
CID 113186819
1-(2-chloro-4,6-dimethylphenyl)-N-cycloheptyl-5-oxopyrrolidine-3-carboxamide
CID 113187915
N-(2-chloro-4,6-dimethylphenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113185945
(3S)-1-(3,4-dimethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 40977070
1-(4-chloro-2-methoxy-5-methylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 113191493

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,6-dimethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-chloro-4,6-dimethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide (CID 113187924) is 1-(2-chloro-4,6-dimethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-chloro-4,6-dimethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-chloro-4,6-dimethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide is Cc1cc(C)c(N2CC(C(=O)Nc3ccccc3)CC2=O)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4,6-dimethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide?
The InChIKey is WTUKPRGIMOOFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-12-8-13(2)18(16(20)9-12)22-11-14(10-17(22)23)19(24)21-15-6-4-3-5-7-15/h3-9,14H,10-11H2,1-2H3,(H,21,24).
What are the key properties of 1-(2-chloro-4,6-dimethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide?
1-(2-chloro-4,6-dimethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide has a molecular weight of 342.83 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4,6-dimethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 113187924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).