2-N-(4-acetamidophenyl)-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide

C20H21N5O5 — CID 3230344

IUPAC2-N-(4-acetamidophenyl)-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2CCCN2C(=O)Nc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C20H21N5O5/c1-13(26)21-14-8-10-15(11-9-14)22-19(27)18-7-4-12-24(18)20(28)23-16-5-2-3-6-17(16)25(29)30/h2-3,5-6,8-11,18H,4,7,12H2,1H3,(H,21,26)(H,22,27)(H,23,28)
InChIKeyXFFUCANXYDJCLH-UHFFFAOYSA-N
MW411.42 g/mol
LogP3.19
Rot. Bonds5

About 2-N-(4-acetamidophenyl)-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide

2-N-(4-acetamidophenyl)-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 3230344) has the molecular formula C20H21N5O5 and a molecular weight of 411.42 g/mol. Its IUPAC name is 2-N-(4-acetamidophenyl)-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(4-acetamidophenyl)-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide
PubChem CID3230344
Molecular FormulaC20H21N5O5
Molecular Weight411.42 g/mol
Exact Mass411.15
IUPAC Name2-N-(4-acetamidophenyl)-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2CCCN2C(=O)Nc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C20H21N5O5/c1-13(26)21-14-8-10-15(11-9-14)22-19(27)18-7-4-12-24(18)20(28)23-16-5-2-3-6-17(16)25(29)30/h2-3,5-6,8-11,18H,4,7,12H2,1H3,(H,21,26)(H,22,27)(H,23,28)
InChIKeyXFFUCANXYDJCLH-UHFFFAOYSA-N
XLogP3.19
TPSA133.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.42
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-acetamidophenyl)-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 2-N-(4-acetamidophenyl)-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide (CID 3230344) is 2-N-(4-acetamidophenyl)-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(4-acetamidophenyl)-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 2-N-(4-acetamidophenyl)-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide is CC(=O)Nc1ccc(NC(=O)C2CCCN2C(=O)Nc2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of 2-N-(4-acetamidophenyl)-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is XFFUCANXYDJCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O5/c1-13(26)21-14-8-10-15(11-9-14)22-19(27)18-7-4-12-24(18)20(28)23-16-5-2-3-6-17(16)25(29)30/h2-3,5-6,8-11,18H,4,7,12H2,1H3,(H,21,26)(H,22,27)(H,23,28).
What are the key properties of 2-N-(4-acetamidophenyl)-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide?
2-N-(4-acetamidophenyl)-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 411.42 g/mol, XLogP of 3.19, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-acetamidophenyl)-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 3230344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).