3-hydroxy-4-nitro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide

C17H15N3O5 — CID 18204927

IUPAC3-hydroxy-4-nitro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
SMILESO=C(Nc1ccccc1N1CCCC1=O)c1ccc([N+](=O)[O-])c(O)c1
InChIInChI=1S/C17H15N3O5/c21-15-10-11(7-8-14(15)20(24)25)17(23)18-12-4-1-2-5-13(12)19-9-3-6-16(19)22/h1-2,4-5,7-8,10,21H,3,6,9H2,(H,18,23)
InChIKeyYWLLVAGRHJJSCE-UHFFFAOYSA-N
MW341.32 g/mol
LogP2.68
Rot. Bonds4

About 3-hydroxy-4-nitro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide

3-hydroxy-4-nitro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide (PubChem CID 18204927) has the molecular formula C17H15N3O5 and a molecular weight of 341.32 g/mol. Its IUPAC name is 3-hydroxy-4-nitro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-hydroxy-4-nitro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
PubChem CID18204927
Molecular FormulaC17H15N3O5
Molecular Weight341.32 g/mol
Exact Mass341.10
IUPAC Name3-hydroxy-4-nitro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
SMILESO=C(Nc1ccccc1N1CCCC1=O)c1ccc([N+](=O)[O-])c(O)c1
InChIInChI=1S/C17H15N3O5/c21-15-10-11(7-8-14(15)20(24)25)17(23)18-12-4-1-2-5-13(12)19-9-3-6-16(19)22/h1-2,4-5,7-8,10,21H,3,6,9H2,(H,18,23)
InChIKeyYWLLVAGRHJJSCE-UHFFFAOYSA-N
XLogP2.68
TPSA112.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 52.68
H-Bond Donors ≤ 52
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'}

Analyze 3-hydroxy-4-nitro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-3-nitro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 26709787
2-[(3-hydroxy-4-nitrobenzoyl)amino]benzoic acid
CID 165346961
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 26955394
3-cyano-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 18090514
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-pyrrol-1-ylbenzamide
CID 17426523
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9442082
5-bromo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]thiophene-3-carboxamide
CID 39638037
1-methyl-3-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2,4-dihydroquinoxaline-6-carboxamide
CID 55864837
3-ethoxy-4-methoxy-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 17497049
N-(2-methyl-3-nitrophenyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide
CID 17489416
[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] (2S)-2-[(3-nitrobenzoyl)amino]propanoate
CID 55936388
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-methyl-4-nitrobenzamide
CID 7687075

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-nitro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The IUPAC name of 3-hydroxy-4-nitro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide (CID 18204927) is 3-hydroxy-4-nitro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide.
What is the SMILES notation for 3-hydroxy-4-nitro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The canonical SMILES for 3-hydroxy-4-nitro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide is O=C(Nc1ccccc1N1CCCC1=O)c1ccc([N+](=O)[O-])c(O)c1.
What is the InChIKey of 3-hydroxy-4-nitro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The InChIKey is YWLLVAGRHJJSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O5/c21-15-10-11(7-8-14(15)20(24)25)17(23)18-12-4-1-2-5-13(12)19-9-3-6-16(19)22/h1-2,4-5,7-8,10,21H,3,6,9H2,(H,18,23).
What are the key properties of 3-hydroxy-4-nitro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
3-hydroxy-4-nitro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide has a molecular weight of 341.32 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-nitro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide is sourced from PubChem (CID 18204927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).