N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-nitro-1H-pyrrole-2-carboxamide

C15H13ClN4O4 — CID 75494677

IUPACN-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-nitro-1H-pyrrole-2-carboxamide
SMILESO=C(NC1CCN(c2cccc(Cl)c2)C1=O)c1cc([N+](=O)[O-])c[nH]1
InChIInChI=1S/C15H13ClN4O4/c16-9-2-1-3-10(6-9)19-5-4-12(15(19)22)18-14(21)13-7-11(8-17-13)20(23)24/h1-3,6-8,12,17H,4-5H2,(H,18,21)
InChIKeyCANJCADLBPZOBI-UHFFFAOYSA-N
MW348.75 g/mol
LogP2.11
Rot. Bonds4

About N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-nitro-1H-pyrrole-2-carboxamide

N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-nitro-1H-pyrrole-2-carboxamide (PubChem CID 75494677) has the molecular formula C15H13ClN4O4 and a molecular weight of 348.75 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-nitro-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-nitro-1H-pyrrole-2-carboxamide
PubChem CID75494677
Molecular FormulaC15H13ClN4O4
Molecular Weight348.75 g/mol
Exact Mass348.06
IUPAC NameN-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-nitro-1H-pyrrole-2-carboxamide
SMILESO=C(NC1CCN(c2cccc(Cl)c2)C1=O)c1cc([N+](=O)[O-])c[nH]1
InChIInChI=1S/C15H13ClN4O4/c16-9-2-1-3-10(6-9)19-5-4-12(15(19)22)18-14(21)13-7-11(8-17-13)20(23)24/h1-3,6-8,12,17H,4-5H2,(H,18,21)
InChIKeyCANJCADLBPZOBI-UHFFFAOYSA-N
XLogP2.11
TPSA108.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.75
LogP ≤ 52.11
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 N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-nitro-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-nitro-1H-pyrrole-2-carboxamide (CID 75494677) is N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-nitro-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-nitro-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-nitro-1H-pyrrole-2-carboxamide is O=C(NC1CCN(c2cccc(Cl)c2)C1=O)c1cc([N+](=O)[O-])c[nH]1.
What is the InChIKey of N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-nitro-1H-pyrrole-2-carboxamide?
The InChIKey is CANJCADLBPZOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O4/c16-9-2-1-3-10(6-9)19-5-4-12(15(19)22)18-14(21)13-7-11(8-17-13)20(23)24/h1-3,6-8,12,17H,4-5H2,(H,18,21).
What are the key properties of N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-nitro-1H-pyrrole-2-carboxamide?
N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-nitro-1H-pyrrole-2-carboxamide has a molecular weight of 348.75 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-nitro-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 75494677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).