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

C20H21ClN2O3 — CID 113191496

IUPAC1-(4-chloro-2-methoxy-5-methylphenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cc(Cl)c(C)cc1N1CC(C(=O)Nc2ccc(C)cc2)CC1=O
InChIInChI=1S/C20H21ClN2O3/c1-12-4-6-15(7-5-12)22-20(25)14-9-19(24)23(11-14)17-8-13(2)16(21)10-18(17)26-3/h4-8,10,14H,9,11H2,1-3H3,(H,22,25)
InChIKeyIHRSRMGMBBXFMU-UHFFFAOYSA-N
MW372.85 g/mol
LogP3.96
Rot. Bonds4

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

1-(4-chloro-2-methoxy-5-methylphenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 113191496) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is 1-(4-chloro-2-methoxy-5-methylphenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chloro-2-methoxy-5-methylphenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID113191496
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC Name1-(4-chloro-2-methoxy-5-methylphenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cc(Cl)c(C)cc1N1CC(C(=O)Nc2ccc(C)cc2)CC1=O
InChIInChI=1S/C20H21ClN2O3/c1-12-4-6-15(7-5-12)22-20(25)14-9-19(24)23(11-14)17-8-13(2)16(21)10-18(17)26-3/h4-8,10,14H,9,11H2,1-3H3,(H,22,25)
InChIKeyIHRSRMGMBBXFMU-UHFFFAOYSA-N
XLogP3.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-2-methoxy-5-methylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 113191493
N-(4-chloro-2-methoxy-5-methylphenyl)-1-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186079
N-(4-chloro-2-methoxy-5-methylphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 4787816
N-(3-chloro-4-methoxyphenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113185946
1-(4-chloro-2-methoxy-5-methylphenyl)-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 113191458
(3S)-N-(2-chloro-4-methylphenyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8885963
N-(2,6-dichlorophenyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113188236
(3S)-N-(4-chlorophenyl)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9351333
1-(2-methoxy-5-methylphenyl)-N-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 43025512
(3S)-N-(3,4-dichlorophenyl)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9394737
(3R)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 41025656
1-(2,4-dimethylphenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3160137

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methoxy-5-methylphenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-chloro-2-methoxy-5-methylphenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 113191496) is 1-(4-chloro-2-methoxy-5-methylphenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-chloro-2-methoxy-5-methylphenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-chloro-2-methoxy-5-methylphenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is COc1cc(Cl)c(C)cc1N1CC(C(=O)Nc2ccc(C)cc2)CC1=O.
What is the InChIKey of 1-(4-chloro-2-methoxy-5-methylphenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is IHRSRMGMBBXFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O3/c1-12-4-6-15(7-5-12)22-20(25)14-9-19(24)23(11-14)17-8-13(2)16(21)10-18(17)26-3/h4-8,10,14H,9,11H2,1-3H3,(H,22,25).
What are the key properties of 1-(4-chloro-2-methoxy-5-methylphenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
1-(4-chloro-2-methoxy-5-methylphenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 372.85 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methoxy-5-methylphenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113191496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).