4-(2,5-dioxopyrrolidin-1-yl)-N-(2-nitrophenyl)benzamide

C17H13N3O5 — CID 2891364

IUPAC4-(2,5-dioxopyrrolidin-1-yl)-N-(2-nitrophenyl)benzamide
SMILESO=C(Nc1ccccc1[N+](=O)[O-])c1ccc(N2C(=O)CCC2=O)cc1
InChIInChI=1S/C17H13N3O5/c21-15-9-10-16(22)19(15)12-7-5-11(6-8-12)17(23)18-13-3-1-2-4-14(13)20(24)25/h1-8H,9-10H2,(H,18,23)
InChIKeyFWBXFZWVJYKRDB-UHFFFAOYSA-N
MW339.31 g/mol
LogP2.50
Rot. Bonds4

About 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-nitrophenyl)benzamide

4-(2,5-dioxopyrrolidin-1-yl)-N-(2-nitrophenyl)benzamide (PubChem CID 2891364) has the molecular formula C17H13N3O5 and a molecular weight of 339.31 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-nitrophenyl)benzamide.

Molecular Properties

Compound Name4-(2,5-dioxopyrrolidin-1-yl)-N-(2-nitrophenyl)benzamide
PubChem CID2891364
Molecular FormulaC17H13N3O5
Molecular Weight339.31 g/mol
Exact Mass339.09
IUPAC Name4-(2,5-dioxopyrrolidin-1-yl)-N-(2-nitrophenyl)benzamide
SMILESO=C(Nc1ccccc1[N+](=O)[O-])c1ccc(N2C(=O)CCC2=O)cc1
InChIInChI=1S/C17H13N3O5/c21-15-9-10-16(22)19(15)12-7-5-11(6-8-12)17(23)18-13-3-1-2-4-14(13)20(24)25/h1-8H,9-10H2,(H,18,23)
InChIKeyFWBXFZWVJYKRDB-UHFFFAOYSA-N
XLogP2.50
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
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'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-iodo-N-(2-nitrophenyl)benzamide
CID 2889506
4-bromo-N-(2-nitrophenyl)benzamide
CID 139086571
4-(2,5-dioxopyrrolidin-1-yl)-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 16557741
4-cyano-N-(2-nitrophenyl)benzamide
CID 103601565
4-(2,5-dioxopyrrolidin-1-yl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 46543764
4-(2,5-dioxopyrrolidin-1-yl)-N-[3-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]phenyl]benzamide
CID 18552976
4-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]benzoate
CID 7318599
N-[2-(2-nitroanilino)ethyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 51255829
4-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(2-nitrophenyl)benzamide
CID 18859076
N-(2-nitrophenyl)benzamide;2-oxo-2-(sulfonylamino)acetic acid
CID 159771520
4-morpholin-4-yl-3-nitro-N-(2-nitrophenyl)benzamide
CID 4089078
1-benzamido-3-(2-nitrophenyl)urea
CID 91390180

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-nitrophenyl)benzamide?
The IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-nitrophenyl)benzamide (CID 2891364) is 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-nitrophenyl)benzamide.
What is the SMILES notation for 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-nitrophenyl)benzamide?
The canonical SMILES for 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-nitrophenyl)benzamide is O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(N2C(=O)CCC2=O)cc1.
What is the InChIKey of 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-nitrophenyl)benzamide?
The InChIKey is FWBXFZWVJYKRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O5/c21-15-9-10-16(22)19(15)12-7-5-11(6-8-12)17(23)18-13-3-1-2-4-14(13)20(24)25/h1-8H,9-10H2,(H,18,23).
What are the key properties of 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-nitrophenyl)benzamide?
4-(2,5-dioxopyrrolidin-1-yl)-N-(2-nitrophenyl)benzamide has a molecular weight of 339.31 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-nitrophenyl)benzamide is sourced from PubChem (CID 2891364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).