3-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxy-5-nitrophenyl)benzamide

C17H13N3O6 — CID 17342490

IUPAC3-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxy-5-nitrophenyl)benzamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1O)c1cccc(N2C(=O)CCC2=O)c1
InChIInChI=1S/C17H13N3O6/c21-14-5-4-12(20(25)26)9-13(14)18-17(24)10-2-1-3-11(8-10)19-15(22)6-7-16(19)23/h1-5,8-9,21H,6-7H2,(H,18,24)
InChIKeyNKMOJSRYQQITAJ-UHFFFAOYSA-N
MW355.31 g/mol
LogP2.21
Rot. Bonds4

About 3-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxy-5-nitrophenyl)benzamide

3-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxy-5-nitrophenyl)benzamide (PubChem CID 17342490) has the molecular formula C17H13N3O6 and a molecular weight of 355.31 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxy-5-nitrophenyl)benzamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxy-5-nitrophenyl)benzamide
PubChem CID17342490
Molecular FormulaC17H13N3O6
Molecular Weight355.31 g/mol
Exact Mass355.08
IUPAC Name3-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxy-5-nitrophenyl)benzamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1O)c1cccc(N2C(=O)CCC2=O)c1
InChIInChI=1S/C17H13N3O6/c21-14-5-4-12(20(25)26)9-13(14)18-17(24)10-2-1-3-11(8-10)19-15(22)6-7-16(19)23/h1-5,8-9,21H,6-7H2,(H,18,24)
InChIKeyNKMOJSRYQQITAJ-UHFFFAOYSA-N
XLogP2.21
TPSA129.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.31
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'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

3-amino-N-(2-hydroxy-5-nitrophenyl)benzamide
CID 107744509
N-(5-fluoro-2-hydroxyphenyl)-3-nitrobenzamide
CID 90714767
3-ethoxy-N-(2-hydroxy-5-nitrophenyl)benzamide
CID 17342365
N-(2,3-dimethylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 7733040
N-(2-methoxy-5-nitrophenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 55394131
4-amino-3-fluoro-N-(2-hydroxy-5-nitrophenyl)benzamide
CID 107744674
3-(2,5-dioxopyrrolidin-1-yl)-N-(2-fluoro-4-methylphenyl)benzamide
CID 18166253
4-[3-(aminomethyl)phenyl]-N-(2-hydroxy-5-nitrophenyl)benzamide
CID 166392215
N-(2-fluoro-5-nitrophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide
CID 60528345
3-nitro-N-[2-[(3-nitrobenzoyl)amino]phenyl]benzamide
CID 4118809
2,3-difluoro-N-(2-hydroxy-5-nitrophenyl)benzamide
CID 103863233
1-N,3-N-bis(2,4-dinitrophenyl)benzene-1,3-dicarboxamide
CID 628714

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxy-5-nitrophenyl)benzamide?
The IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxy-5-nitrophenyl)benzamide (CID 17342490) is 3-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxy-5-nitrophenyl)benzamide.
What is the SMILES notation for 3-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxy-5-nitrophenyl)benzamide?
The canonical SMILES for 3-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxy-5-nitrophenyl)benzamide is O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cccc(N2C(=O)CCC2=O)c1.
What is the InChIKey of 3-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxy-5-nitrophenyl)benzamide?
The InChIKey is NKMOJSRYQQITAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O6/c21-14-5-4-12(20(25)26)9-13(14)18-17(24)10-2-1-3-11(8-10)19-15(22)6-7-16(19)23/h1-5,8-9,21H,6-7H2,(H,18,24).
What are the key properties of 3-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxy-5-nitrophenyl)benzamide?
3-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxy-5-nitrophenyl)benzamide has a molecular weight of 355.31 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxy-5-nitrophenyl)benzamide is sourced from PubChem (CID 17342490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).