(3S)-2,4-dioxo-N,1-diphenylpyrrolidine-3-carboxamide

C17H14N2O3 — CID 1249039

IUPAC(3S)-2,4-dioxo-N,1-diphenylpyrrolidine-3-carboxamide
SMILESO=C1CN(c2ccccc2)C(=O)[C@@H]1C(=O)Nc1ccccc1
InChIInChI=1S/C17H14N2O3/c20-14-11-19(13-9-5-2-6-10-13)17(22)15(14)16(21)18-12-7-3-1-4-8-12/h1-10,15H,11H2,(H,18,21)/t15-/m0/s1
InChIKeyFFBIEQYGWLQSSR-HNNXBMFYSA-N
MW294.31 g/mol
LogP1.86
Rot. Bonds3

About (3S)-2,4-dioxo-N,1-diphenylpyrrolidine-3-carboxamide

(3S)-2,4-dioxo-N,1-diphenylpyrrolidine-3-carboxamide (PubChem CID 1249039) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is (3S)-2,4-dioxo-N,1-diphenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-2,4-dioxo-N,1-diphenylpyrrolidine-3-carboxamide
PubChem CID1249039
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name(3S)-2,4-dioxo-N,1-diphenylpyrrolidine-3-carboxamide
SMILESO=C1CN(c2ccccc2)C(=O)[C@@H]1C(=O)Nc1ccccc1
InChIInChI=1S/C17H14N2O3/c20-14-11-19(13-9-5-2-6-10-13)17(22)15(14)16(21)18-12-7-3-1-4-8-12/h1-10,15H,11H2,(H,18,21)/t15-/m0/s1
InChIKeyFFBIEQYGWLQSSR-HNNXBMFYSA-N
XLogP1.86
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

8-[4-[(2,4-dioxo-1-phenylpyrrolidine-3-carbonyl)amino]phenoxy]octanoic acid
CID 91931919
N-benzyl-2,4-dioxo-1-phenylpyrrolidine-3-carboxamide
CID 16801166
2,5-dioxo-N-phenylcyclopentane-1-carboxamide
CID 75388196
5-oxo-1-phenyl-N-[4-(phenylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 17153747
(3R)-1-(4-chlorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 785744
3-methyl-5-oxo-1-phenyl-N-pyridin-4-yl-4H-pyrazole-4-carboxamide
CID 139433268
(3S)-5-oxo-1-phenyl-N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 40500966
(3R)-N-(4-iodophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 1286852
6,7-dimethyl-4-oxo-N,1-diphenyl-2,3-dihydroquinoline-3-carboxamide
CID 54175267
(1S)-2,2-dichloro-N-phenylcyclopropane-1-carboxamide
CID 7946169
(3S)-1-methyl-2-oxo-N-phenylpyrrolidine-3-carboxamide
CID 129405236
(4Z)-4-(carbamothioylhydrazinylidene)-2,5-dioxo-N,1-diphenylpyrrolidine-3-carboxamide
CID 5386883

Frequently Asked Questions

What is the IUPAC name of (3S)-2,4-dioxo-N,1-diphenylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-2,4-dioxo-N,1-diphenylpyrrolidine-3-carboxamide (CID 1249039) is (3S)-2,4-dioxo-N,1-diphenylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-2,4-dioxo-N,1-diphenylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-2,4-dioxo-N,1-diphenylpyrrolidine-3-carboxamide is O=C1CN(c2ccccc2)C(=O)[C@@H]1C(=O)Nc1ccccc1.
What is the InChIKey of (3S)-2,4-dioxo-N,1-diphenylpyrrolidine-3-carboxamide?
The InChIKey is FFBIEQYGWLQSSR-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H14N2O3/c20-14-11-19(13-9-5-2-6-10-13)17(22)15(14)16(21)18-12-7-3-1-4-8-12/h1-10,15H,11H2,(H,18,21)/t15-/m0/s1.
What are the key properties of (3S)-2,4-dioxo-N,1-diphenylpyrrolidine-3-carboxamide?
(3S)-2,4-dioxo-N,1-diphenylpyrrolidine-3-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2,4-dioxo-N,1-diphenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 1249039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).