N-benzyl-2,4-dioxo-1-phenylpyrrolidine-3-carboxamide

C18H16N2O3 — CID 16801166

IUPACN-benzyl-2,4-dioxo-1-phenylpyrrolidine-3-carboxamide
SMILESO=C1CN(c2ccccc2)C(=O)C1C(=O)NCc1ccccc1
InChIInChI=1S/C18H16N2O3/c21-15-12-20(14-9-5-2-6-10-14)18(23)16(15)17(22)19-11-13-7-3-1-4-8-13/h1-10,16H,11-12H2,(H,19,22)
InChIKeyLSBKMERZLHHXKW-UHFFFAOYSA-N
MW308.34 g/mol
LogP1.53
Rot. Bonds4

About N-benzyl-2,4-dioxo-1-phenylpyrrolidine-3-carboxamide

N-benzyl-2,4-dioxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 16801166) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-benzyl-2,4-dioxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-2,4-dioxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID16801166
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC NameN-benzyl-2,4-dioxo-1-phenylpyrrolidine-3-carboxamide
SMILESO=C1CN(c2ccccc2)C(=O)C1C(=O)NCc1ccccc1
InChIInChI=1S/C18H16N2O3/c21-15-12-20(14-9-5-2-6-10-14)18(23)16(15)17(22)19-11-13-7-3-1-4-8-13/h1-10,16H,11-12H2,(H,19,22)
InChIKeyLSBKMERZLHHXKW-UHFFFAOYSA-N
XLogP1.53
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.53
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

(3S)-2,4-dioxo-N,1-diphenylpyrrolidine-3-carboxamide
CID 1249039
N-benzyl-3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carboxamide
CID 71939648
(3S)-N-[[4-(dimethylamino)phenyl]methyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 92725760
N-benzyl-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 46048610
N-[(4-fluorophenyl)methyl]-2-oxo-1-phenylimidazolidine-4-carboxamide
CID 134793482
cis-(2S,3R)-N-benzyl-2,3-diphenylcyclopropane-1-carboxamide
CID 101216317
2-oxo-1-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 20964223
N-benzyl-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2872612
(3R)-N-benzyl-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 754074
N-benzylcyclobutanecarboxamide
CID 730128
N-benzylcyclopentanecarboxamide
CID 835634
(3R)-N-benzyl-1-(2-benzylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 93330805

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,4-dioxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-benzyl-2,4-dioxo-1-phenylpyrrolidine-3-carboxamide (CID 16801166) is N-benzyl-2,4-dioxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-benzyl-2,4-dioxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-benzyl-2,4-dioxo-1-phenylpyrrolidine-3-carboxamide is O=C1CN(c2ccccc2)C(=O)C1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2,4-dioxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is LSBKMERZLHHXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c21-15-12-20(14-9-5-2-6-10-14)18(23)16(15)17(22)19-11-13-7-3-1-4-8-13/h1-10,16H,11-12H2,(H,19,22).
What are the key properties of N-benzyl-2,4-dioxo-1-phenylpyrrolidine-3-carboxamide?
N-benzyl-2,4-dioxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,4-dioxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 16801166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).