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

C19H18Cl2N2O3 — CID 113191304

IUPAC1-(2,6-dichlorophenyl)-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1CC(=O)N(c2c(Cl)cccc2Cl)C1
InChIInChI=1S/C19H18Cl2N2O3/c1-11-6-7-16(26-2)15(8-11)22-19(25)12-9-17(24)23(10-12)18-13(20)4-3-5-14(18)21/h3-8,12H,9-10H2,1-2H3,(H,22,25)
InChIKeyIOZGEBXCYLJJMA-UHFFFAOYSA-N
MW393.27 g/mol
LogP4.30
Rot. Bonds4

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

1-(2,6-dichlorophenyl)-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 113191304) has the molecular formula C19H18Cl2N2O3 and a molecular weight of 393.27 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID113191304
Molecular FormulaC19H18Cl2N2O3
Molecular Weight393.27 g/mol
Exact Mass392.07
IUPAC Name1-(2,6-dichlorophenyl)-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1CC(=O)N(c2c(Cl)cccc2Cl)C1
InChIInChI=1S/C19H18Cl2N2O3/c1-11-6-7-16(26-2)15(8-11)22-19(25)12-9-17(24)23(10-12)18-13(20)4-3-5-14(18)21/h3-8,12H,9-10H2,1-2H3,(H,22,25)
InChIKeyIOZGEBXCYLJJMA-UHFFFAOYSA-N
XLogP4.30
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.27
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-2-methylphenyl)-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113187532
(3R)-N-(2-methoxy-5-methylphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9098300
N-(4-chloro-2-methoxy-5-methylphenyl)-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186284
1-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46586094
N-(2,6-dichlorophenyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113188236
(3S)-N-(2-chloro-4-methylphenyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8885963
N-(4-chloro-2-methoxy-5-methylphenyl)-1-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186079
(3S)-1-(2-ethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2684734
(3S)-1-(2,4-dimethylphenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056213
N-(2-hydroxy-5-methylphenyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108801213
N-(4-chloro-2-methoxy-5-methylphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 4787816
1-benzyl-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42992516

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,6-dichlorophenyl)-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 113191304) is 1-(2,6-dichlorophenyl)-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,6-dichlorophenyl)-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(C)cc1NC(=O)C1CC(=O)N(c2c(Cl)cccc2Cl)C1.
What is the InChIKey of 1-(2,6-dichlorophenyl)-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is IOZGEBXCYLJJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O3/c1-11-6-7-16(26-2)15(8-11)22-19(25)12-9-17(24)23(10-12)18-13(20)4-3-5-14(18)21/h3-8,12H,9-10H2,1-2H3,(H,22,25).
What are the key properties of 1-(2,6-dichlorophenyl)-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
1-(2,6-dichlorophenyl)-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 393.27 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113191304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).