1-(2,3-dimethylphenyl)-N-[4-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide

C21H23N3O3 — CID 51147058

IUPAC1-(2,3-dimethylphenyl)-N-[4-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)C2CC(=O)N(c3cccc(C)c3C)C2)cc1
InChIInChI=1S/C21H23N3O3/c1-13-5-4-6-18(14(13)2)24-12-16(11-19(24)25)21(27)23-17-9-7-15(8-10-17)20(26)22-3/h4-10,16H,11-12H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyLLQRJBNDJDKYBQ-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.65
Rot. Bonds4

About 1-(2,3-dimethylphenyl)-N-[4-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide

1-(2,3-dimethylphenyl)-N-[4-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 51147058) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-N-[4-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-N-[4-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID51147058
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name1-(2,3-dimethylphenyl)-N-[4-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)C2CC(=O)N(c3cccc(C)c3C)C2)cc1
InChIInChI=1S/C21H23N3O3/c1-13-5-4-6-18(14(13)2)24-12-16(11-19(24)25)21(27)23-17-9-7-15(8-10-17)20(26)22-3/h4-10,16H,11-12H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyLLQRJBNDJDKYBQ-UHFFFAOYSA-N
XLogP2.65
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(4-acetylphenyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8712792
1-(2,3-dimethylphenyl)-5-oxo-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 46585095
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] (3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 8806010
(3S)-N-[4-(diethylcarbamoyl)phenyl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8503756
(3R)-1-(2,3-dimethylphenyl)-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8745509
1-(2,3-dimethylphenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 46568492
(3R)-N-(4-bromo-3-chlorophenyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 124529072
N-(3-acetamido-4-methylphenyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55746681
(3R)-1-(2,3-dimethylphenyl)-N-[4-(3-methylphenoxy)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 7925003
(3S)-N-(4-acetamidophenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1090575
(3S)-1-(2,3-dimethylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 40741530
1-(2,3-dimethylphenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 18225532

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-N-[4-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,3-dimethylphenyl)-N-[4-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 51147058) is 1-(2,3-dimethylphenyl)-N-[4-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-N-[4-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,3-dimethylphenyl)-N-[4-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide is CNC(=O)c1ccc(NC(=O)C2CC(=O)N(c3cccc(C)c3C)C2)cc1.
What is the InChIKey of 1-(2,3-dimethylphenyl)-N-[4-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is LLQRJBNDJDKYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-13-5-4-6-18(14(13)2)24-12-16(11-19(24)25)21(27)23-17-9-7-15(8-10-17)20(26)22-3/h4-10,16H,11-12H2,1-3H3,(H,22,26)(H,23,27).
What are the key properties of 1-(2,3-dimethylphenyl)-N-[4-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
1-(2,3-dimethylphenyl)-N-[4-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-N-[4-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 51147058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).