1-(2-cyanophenyl)-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide

C21H21N3O2 — CID 113191800

IUPAC1-(2-cyanophenyl)-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCC(C)c1ccccc1NC(=O)C1CC(=O)N(c2ccccc2C#N)C1
InChIInChI=1S/C21H21N3O2/c1-14(2)17-8-4-5-9-18(17)23-21(26)16-11-20(25)24(13-16)19-10-6-3-7-15(19)12-22/h3-10,14,16H,11,13H2,1-2H3,(H,23,26)
InChIKeyPPTKHQOQIWLJTC-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.67
Rot. Bonds4

About 1-(2-cyanophenyl)-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide

1-(2-cyanophenyl)-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide (PubChem CID 113191800) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-(2-cyanophenyl)-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-cyanophenyl)-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
PubChem CID113191800
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name1-(2-cyanophenyl)-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCC(C)c1ccccc1NC(=O)C1CC(=O)N(c2ccccc2C#N)C1
InChIInChI=1S/C21H21N3O2/c1-14(2)17-8-4-5-9-18(17)23-21(26)16-11-20(25)24(13-16)19-10-6-3-7-15(19)12-22/h3-10,14,16H,11,13H2,1-2H3,(H,23,26)
InChIKeyPPTKHQOQIWLJTC-UHFFFAOYSA-N
XLogP3.67
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromophenyl)-1-(2-cyanophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113191852
methyl 2-[2-oxo-4-[(2-propan-2-ylphenyl)carbamoyl]pyrrolidin-1-yl]benzoate
CID 113189194
1-(2-ethoxyphenyl)-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 43008551
N-butan-2-yl-1-(2-cyanophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113191706
1-(2,4-difluorophenyl)-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 113190668
N-(3-chloro-2-methylphenyl)-5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 113186614
methyl 2-[[5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carbonyl]amino]benzoate
CID 113186640
methyl 1-(2-cyanophenyl)-5-oxopyrrolidine-3-carboxylate
CID 168694884
1-(2-cyanophenyl)-N-[4-(diethylamino)-2-methylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 113191874
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 18077893
1-(2-cyanophenyl)-5-oxo-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113191847
N-(2-cyanophenyl)-1-(2,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113191100

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanophenyl)-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-cyanophenyl)-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide (CID 113191800) is 1-(2-cyanophenyl)-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-cyanophenyl)-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-cyanophenyl)-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide is CC(C)c1ccccc1NC(=O)C1CC(=O)N(c2ccccc2C#N)C1.
What is the InChIKey of 1-(2-cyanophenyl)-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is PPTKHQOQIWLJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-14(2)17-8-4-5-9-18(17)23-21(26)16-11-20(25)24(13-16)19-10-6-3-7-15(19)12-22/h3-10,14,16H,11,13H2,1-2H3,(H,23,26).
What are the key properties of 1-(2-cyanophenyl)-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
1-(2-cyanophenyl)-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanophenyl)-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 113191800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).