1-(2-cyanophenyl)-N-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

C20H19N3O2 — CID 113191727

IUPAC1-(2-cyanophenyl)-N-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccc(CNC(=O)C2CC(=O)N(c3ccccc3C#N)C2)c1
InChIInChI=1S/C20H19N3O2/c1-14-5-4-6-15(9-14)12-22-20(25)17-10-19(24)23(13-17)18-8-3-2-7-16(18)11-21/h2-9,17H,10,12-13H2,1H3,(H,22,25)
InChIKeyKJHCGAQWIQMMJA-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.54
Rot. Bonds4

About 1-(2-cyanophenyl)-N-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

1-(2-cyanophenyl)-N-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 113191727) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 1-(2-cyanophenyl)-N-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-cyanophenyl)-N-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID113191727
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name1-(2-cyanophenyl)-N-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccc(CNC(=O)C2CC(=O)N(c3ccccc3C#N)C2)c1
InChIInChI=1S/C20H19N3O2/c1-14-5-4-6-15(9-14)12-22-20(25)17-10-19(24)23(13-17)18-8-3-2-7-16(18)11-21/h2-9,17H,10,12-13H2,1H3,(H,22,25)
InChIKeyKJHCGAQWIQMMJA-UHFFFAOYSA-N
XLogP2.54
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dichlorophenyl)-N-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113191341
N-[(3-methylphenyl)methyl]-1-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113189983
1-(2,6-dichlorophenyl)-N-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113191238
1-(2-cyanophenyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 113191742
(3S)-1-(4-methylphenyl)-N-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 33278455
methyl 1-(2-cyanophenyl)-5-oxopyrrolidine-3-carboxylate
CID 168694884
1-(2-cyanophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113191756
(3R)-1-(3-acetamidophenyl)-N-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 92727160
N-butan-2-yl-1-(2-cyanophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113191706
(3R)-1-(3-methylphenyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 28892382
1-(2-cyanophenyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113191716
(3S)-N-[(3-methylphenyl)methyl]-5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)pyrrolidine-3-carboxamide
CID 95098686

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanophenyl)-N-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-cyanophenyl)-N-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 113191727) is 1-(2-cyanophenyl)-N-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-cyanophenyl)-N-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-cyanophenyl)-N-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is Cc1cccc(CNC(=O)C2CC(=O)N(c3ccccc3C#N)C2)c1.
What is the InChIKey of 1-(2-cyanophenyl)-N-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is KJHCGAQWIQMMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-14-5-4-6-15(9-14)12-22-20(25)17-10-19(24)23(13-17)18-8-3-2-7-16(18)11-21/h2-9,17H,10,12-13H2,1H3,(H,22,25).
What are the key properties of 1-(2-cyanophenyl)-N-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
1-(2-cyanophenyl)-N-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanophenyl)-N-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113191727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).