1-benzyl-N-(2-methyl-6-nitrophenyl)-5-oxopyrrolidine-3-carboxamide

C19H19N3O4 — CID 18885882

IUPAC1-benzyl-N-(2-methyl-6-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccc([N+](=O)[O-])c1NC(=O)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C19H19N3O4/c1-13-6-5-9-16(22(25)26)18(13)20-19(24)15-10-17(23)21(12-15)11-14-7-3-2-4-8-14/h2-9,15H,10-12H2,1H3,(H,20,24)
InChIKeyBNZCMNQYLIBUAQ-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.89
Rot. Bonds5

About 1-benzyl-N-(2-methyl-6-nitrophenyl)-5-oxopyrrolidine-3-carboxamide

1-benzyl-N-(2-methyl-6-nitrophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 18885882) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 1-benzyl-N-(2-methyl-6-nitrophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(2-methyl-6-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID18885882
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name1-benzyl-N-(2-methyl-6-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccc([N+](=O)[O-])c1NC(=O)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C19H19N3O4/c1-13-6-5-9-16(22(25)26)18(13)20-19(24)15-10-17(23)21(12-15)11-14-7-3-2-4-8-14/h2-9,15H,10-12H2,1H3,(H,20,24)
InChIKeyBNZCMNQYLIBUAQ-UHFFFAOYSA-N
XLogP2.89
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-N-(2-methyl-5-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 17478737
1-(2-chlorophenyl)-N-(2-methyl-6-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 18885890
1-benzyl-N-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 18079780
(3R)-1-[(2-chlorophenyl)methyl]-N-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8761573
(3S)-N-(4-chloro-3-nitrophenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 35672102
(3R)-N-(4-chloro-3-nitrophenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 35672107
(3S)-1-benzyl-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 29137132
(3R)-1-benzyl-N-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8502392
(3S)-1-benzyl-N-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8502393
N-(2-methyl-3-nitrophenyl)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 55811564
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] (3S)-1-benzyl-5-oxopyrrolidine-3-carboxylate
CID 40842729
N-(2-methyl-6-propan-2-ylphenyl)-5-oxo-1-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 113185332

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-methyl-6-nitrophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-benzyl-N-(2-methyl-6-nitrophenyl)-5-oxopyrrolidine-3-carboxamide (CID 18885882) is 1-benzyl-N-(2-methyl-6-nitrophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-(2-methyl-6-nitrophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-(2-methyl-6-nitrophenyl)-5-oxopyrrolidine-3-carboxamide is Cc1cccc([N+](=O)[O-])c1NC(=O)C1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-N-(2-methyl-6-nitrophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BNZCMNQYLIBUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-13-6-5-9-16(22(25)26)18(13)20-19(24)15-10-17(23)21(12-15)11-14-7-3-2-4-8-14/h2-9,15H,10-12H2,1H3,(H,20,24).
What are the key properties of 1-benzyl-N-(2-methyl-6-nitrophenyl)-5-oxopyrrolidine-3-carboxamide?
1-benzyl-N-(2-methyl-6-nitrophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 353.38 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2-methyl-6-nitrophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 18885882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).