N-(2-chloro-6-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C19H19ClN2O2 — CID 5024775

IUPACN-(2-chloro-6-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)Nc3c(C)cccc3Cl)CC2=O)cc1
InChIInChI=1S/C19H19ClN2O2/c1-12-6-8-15(9-7-12)22-11-14(10-17(22)23)19(24)21-18-13(2)4-3-5-16(18)20/h3-9,14H,10-11H2,1-2H3,(H,21,24)
InChIKeySZKDSMVYWIRFFM-UHFFFAOYSA-N
MW342.83 g/mol
LogP3.95
Rot. Bonds3

About N-(2-chloro-6-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

N-(2-chloro-6-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 5024775) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID5024775
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC NameN-(2-chloro-6-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)Nc3c(C)cccc3Cl)CC2=O)cc1
InChIInChI=1S/C19H19ClN2O2/c1-12-6-8-15(9-7-12)22-11-14(10-17(22)23)19(24)21-18-13(2)4-3-5-16(18)20/h3-9,14H,10-11H2,1-2H3,(H,21,24)
InChIKeySZKDSMVYWIRFFM-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

(3S)-N-(2,6-dimethylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 680417
(3R)-1-(4-methylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7393881
1-(4-methylphenyl)-5-oxo-N-(2,4,6-trichlorophenyl)pyrrolidine-3-carboxamide
CID 108793691
(3S)-N-(2-chlorophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 715111
N-(2,6-dimethylphenyl)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46634969
(3R)-N-(2,6-dimethylphenyl)-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9005185
N-(3-chloro-4-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3098865
N-(2-chloro-4,6-dimethylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113187357
1-(2,3-dichlorophenyl)-N-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113191381
N-(2-chloro-4-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 4779713
N-(2,6-dimethylphenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113188418
N-(2-chloro-4,6-dimethylphenyl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186151

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2-chloro-6-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 5024775) is N-(2-chloro-6-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1ccc(N2CC(C(=O)Nc3c(C)cccc3Cl)CC2=O)cc1.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is SZKDSMVYWIRFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-12-6-8-15(9-7-12)22-11-14(10-17(22)23)19(24)21-18-13(2)4-3-5-16(18)20/h3-9,14H,10-11H2,1-2H3,(H,21,24).
What are the key properties of N-(2-chloro-6-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-(2-chloro-6-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-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 N-(2-chloro-6-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 5024775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).