N'-(2,5-dioxopyrrolidin-3-yl)-3-fluorobenzohydrazide

C11H10FN3O3 — CID 579391

IUPACN'-(2,5-dioxopyrrolidin-3-yl)-3-fluorobenzohydrazide
SMILESO=C1CC(NNC(=O)c2cccc(F)c2)C(=O)N1
InChIInChI=1S/C11H10FN3O3/c12-7-3-1-2-6(4-7)10(17)15-14-8-5-9(16)13-11(8)18/h1-4,8,14H,5H2,(H,15,17)(H,13,16,18)
InChIKeyZUPRPRMCJDARFK-UHFFFAOYSA-N
MW251.22 g/mol
LogP-0.52
Rot. Bonds3

About N'-(2,5-dioxopyrrolidin-3-yl)-3-fluorobenzohydrazide

N'-(2,5-dioxopyrrolidin-3-yl)-3-fluorobenzohydrazide (PubChem CID 579391) has the molecular formula C11H10FN3O3 and a molecular weight of 251.22 g/mol. Its IUPAC name is N'-(2,5-dioxopyrrolidin-3-yl)-3-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-(2,5-dioxopyrrolidin-3-yl)-3-fluorobenzohydrazide
PubChem CID579391
Molecular FormulaC11H10FN3O3
Molecular Weight251.22 g/mol
Exact Mass251.07
IUPAC NameN'-(2,5-dioxopyrrolidin-3-yl)-3-fluorobenzohydrazide
SMILESO=C1CC(NNC(=O)c2cccc(F)c2)C(=O)N1
InChIInChI=1S/C11H10FN3O3/c12-7-3-1-2-6(4-7)10(17)15-14-8-5-9(16)13-11(8)18/h1-4,8,14H,5H2,(H,15,17)(H,13,16,18)
InChIKeyZUPRPRMCJDARFK-UHFFFAOYSA-N
XLogP-0.52
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.22
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2,5-dioxopyrrolidin-3-yl)-3-fluorobenzohydrazide?
The IUPAC name of N'-(2,5-dioxopyrrolidin-3-yl)-3-fluorobenzohydrazide (CID 579391) is N'-(2,5-dioxopyrrolidin-3-yl)-3-fluorobenzohydrazide.
What is the SMILES notation for N'-(2,5-dioxopyrrolidin-3-yl)-3-fluorobenzohydrazide?
The canonical SMILES for N'-(2,5-dioxopyrrolidin-3-yl)-3-fluorobenzohydrazide is O=C1CC(NNC(=O)c2cccc(F)c2)C(=O)N1.
What is the InChIKey of N'-(2,5-dioxopyrrolidin-3-yl)-3-fluorobenzohydrazide?
The InChIKey is ZUPRPRMCJDARFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O3/c12-7-3-1-2-6(4-7)10(17)15-14-8-5-9(16)13-11(8)18/h1-4,8,14H,5H2,(H,15,17)(H,13,16,18).
What are the key properties of N'-(2,5-dioxopyrrolidin-3-yl)-3-fluorobenzohydrazide?
N'-(2,5-dioxopyrrolidin-3-yl)-3-fluorobenzohydrazide has a molecular weight of 251.22 g/mol, XLogP of -0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dioxopyrrolidin-3-yl)-3-fluorobenzohydrazide is sourced from PubChem (CID 579391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).