1-(4-benzamidophenyl)-5-oxopyrrolidine-3-carboxylic acid

C18H16N2O4 — CID 22116008

IUPAC1-(4-benzamidophenyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(Nc1ccc(N2CC(C(=O)O)CC2=O)cc1)c1ccccc1
InChIInChI=1S/C18H16N2O4/c21-16-10-13(18(23)24)11-20(16)15-8-6-14(7-9-15)19-17(22)12-4-2-1-3-5-12/h1-9,13H,10-11H2,(H,19,22)(H,23,24)
InChIKeyFGTUBIQYKKXVAI-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.38
Rot. Bonds4

About 1-(4-benzamidophenyl)-5-oxopyrrolidine-3-carboxylic acid

1-(4-benzamidophenyl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 22116008) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 1-(4-benzamidophenyl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-benzamidophenyl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID22116008
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name1-(4-benzamidophenyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(Nc1ccc(N2CC(C(=O)O)CC2=O)cc1)c1ccccc1
InChIInChI=1S/C18H16N2O4/c21-16-10-13(18(23)24)11-20(16)15-8-6-14(7-9-15)19-17(22)12-4-2-1-3-5-12/h1-9,13H,10-11H2,(H,19,22)(H,23,24)
InChIKeyFGTUBIQYKKXVAI-UHFFFAOYSA-N
XLogP2.38
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-oxo-1-phenyl-N-[4-(phenylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 17153747
5-oxo-1-phenyl-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 46422723
N-[4-[(2-bromophenyl)carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17153911
1-(4-formamidophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168654587
5-oxo-1-phenyl-N-[4-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamoyl]phenyl]pyrrolidine-3-carboxamide
CID 17153935
N-[4-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17153830
N-[4-(benzhydrylcarbamoyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17153792
5-oxo-1-phenyl-N-[4-[(2,4,6-trimethylphenyl)carbamoyl]phenyl]pyrrolidine-3-carboxamide
CID 17153892
(3R)-1-(4-chlorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 785744
(3R)-N-(4-iodophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 1286852
1-[4-(2-hydroxyethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168691772
5-oxo-1-(4-phenyldiazenylphenyl)pyrrolidine-3-carboxylic acid
CID 168691777

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzamidophenyl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(4-benzamidophenyl)-5-oxopyrrolidine-3-carboxylic acid (CID 22116008) is 1-(4-benzamidophenyl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-benzamidophenyl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(4-benzamidophenyl)-5-oxopyrrolidine-3-carboxylic acid is O=C(Nc1ccc(N2CC(C(=O)O)CC2=O)cc1)c1ccccc1.
What is the InChIKey of 1-(4-benzamidophenyl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is FGTUBIQYKKXVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c21-16-10-13(18(23)24)11-20(16)15-8-6-14(7-9-15)19-17(22)12-4-2-1-3-5-12/h1-9,13H,10-11H2,(H,19,22)(H,23,24).
What are the key properties of 1-(4-benzamidophenyl)-5-oxopyrrolidine-3-carboxylic acid?
1-(4-benzamidophenyl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 324.34 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzamidophenyl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 22116008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).