1-N-(2-nitrophenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide

C18H18N4O4 — CID 3230339

IUPAC1-N-(2-nitrophenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide
SMILESO=C(Nc1ccccc1)C1CCCN1C(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C18H18N4O4/c23-17(19-13-7-2-1-3-8-13)16-11-6-12-21(16)18(24)20-14-9-4-5-10-15(14)22(25)26/h1-5,7-10,16H,6,11-12H2,(H,19,23)(H,20,24)
InChIKeyXLVXYSIRXFHZDJ-UHFFFAOYSA-N
MW354.37 g/mol
LogP3.23
Rot. Bonds4

About 1-N-(2-nitrophenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide

1-N-(2-nitrophenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide (PubChem CID 3230339) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is 1-N-(2-nitrophenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-nitrophenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide
PubChem CID3230339
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC Name1-N-(2-nitrophenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide
SMILESO=C(Nc1ccccc1)C1CCCN1C(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C18H18N4O4/c23-17(19-13-7-2-1-3-8-13)16-11-6-12-21(16)18(24)20-14-9-4-5-10-15(14)22(25)26/h1-5,7-10,16H,6,11-12H2,(H,19,23)(H,20,24)
InChIKeyXLVXYSIRXFHZDJ-UHFFFAOYSA-N
XLogP3.23
TPSA104.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 53.23
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 1-N-(2-nitrophenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-(2-nitrophenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide (CID 3230339) is 1-N-(2-nitrophenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(2-nitrophenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-(2-nitrophenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide is O=C(Nc1ccccc1)C1CCCN1C(=O)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of 1-N-(2-nitrophenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide?
The InChIKey is XLVXYSIRXFHZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4/c23-17(19-13-7-2-1-3-8-13)16-11-6-12-21(16)18(24)20-14-9-4-5-10-15(14)22(25)26/h1-5,7-10,16H,6,11-12H2,(H,19,23)(H,20,24).
What are the key properties of 1-N-(2-nitrophenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide?
1-N-(2-nitrophenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide has a molecular weight of 354.37 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-nitrophenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 3230339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).