3-[(2,5-dioxopyrrolidin-1-yl)methyl]-4-fluorobenzohydrazide

C12H12FN3O3 — CID 107458852

IUPAC3-[(2,5-dioxopyrrolidin-1-yl)methyl]-4-fluorobenzohydrazide
SMILESNNC(=O)c1ccc(F)c(CN2C(=O)CCC2=O)c1
InChIInChI=1S/C12H12FN3O3/c13-9-2-1-7(12(19)15-14)5-8(9)6-16-10(17)3-4-11(16)18/h1-2,5H,3-4,6,14H2,(H,15,19)
InChIKeyYZZUPTDXJGUVFG-UHFFFAOYSA-N
MW265.24 g/mol
LogP0.08
Rot. Bonds3

About 3-[(2,5-dioxopyrrolidin-1-yl)methyl]-4-fluorobenzohydrazide

3-[(2,5-dioxopyrrolidin-1-yl)methyl]-4-fluorobenzohydrazide (PubChem CID 107458852) has the molecular formula C12H12FN3O3 and a molecular weight of 265.24 g/mol. Its IUPAC name is 3-[(2,5-dioxopyrrolidin-1-yl)methyl]-4-fluorobenzohydrazide.

Molecular Properties

Compound Name3-[(2,5-dioxopyrrolidin-1-yl)methyl]-4-fluorobenzohydrazide
PubChem CID107458852
Molecular FormulaC12H12FN3O3
Molecular Weight265.24 g/mol
Exact Mass265.09
IUPAC Name3-[(2,5-dioxopyrrolidin-1-yl)methyl]-4-fluorobenzohydrazide
SMILESNNC(=O)c1ccc(F)c(CN2C(=O)CCC2=O)c1
InChIInChI=1S/C12H12FN3O3/c13-9-2-1-7(12(19)15-14)5-8(9)6-16-10(17)3-4-11(16)18/h1-2,5H,3-4,6,14H2,(H,15,19)
InChIKeyYZZUPTDXJGUVFG-UHFFFAOYSA-N
XLogP0.08
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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-[(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)methyl]-4-fluorobenzohydrazide
CID 107459005
4-fluoro-3-[(3-methyl-2-oxoimidazol-1-yl)methyl]benzohydrazide
CID 107459017
3-[(4-ethylpiperidin-1-yl)methyl]-4-fluorobenzohydrazide
CID 107458588
3-[(5-chloro-2,4-dioxopyrimidin-1-yl)methyl]-4-fluorobenzohydrazide
CID 107459004
3-[(2,3-dimethylthiomorpholin-4-yl)methyl]-4-fluorobenzohydrazide
CID 107458745
3-[(2,4-dimethylpiperidin-1-yl)methyl]-4-fluorobenzohydrazide
CID 107458460
3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-fluorobenzohydrazide
CID 107458944
3-amino-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 43376136
4-fluoro-3-[(3-methylmorpholin-4-yl)methyl]benzohydrazide
CID 107458428
3-[[ethyl(methyl)amino]methyl]-4-fluorobenzohydrazide
CID 107458406
5-[(2,5-dioxopyrrolidin-1-yl)methyl]furan-3-carbohydrazide
CID 63571860
N-(3,4-difluorophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 17498612

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dioxopyrrolidin-1-yl)methyl]-4-fluorobenzohydrazide?
The IUPAC name of 3-[(2,5-dioxopyrrolidin-1-yl)methyl]-4-fluorobenzohydrazide (CID 107458852) is 3-[(2,5-dioxopyrrolidin-1-yl)methyl]-4-fluorobenzohydrazide.
What is the SMILES notation for 3-[(2,5-dioxopyrrolidin-1-yl)methyl]-4-fluorobenzohydrazide?
The canonical SMILES for 3-[(2,5-dioxopyrrolidin-1-yl)methyl]-4-fluorobenzohydrazide is NNC(=O)c1ccc(F)c(CN2C(=O)CCC2=O)c1.
What is the InChIKey of 3-[(2,5-dioxopyrrolidin-1-yl)methyl]-4-fluorobenzohydrazide?
The InChIKey is YZZUPTDXJGUVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O3/c13-9-2-1-7(12(19)15-14)5-8(9)6-16-10(17)3-4-11(16)18/h1-2,5H,3-4,6,14H2,(H,15,19).
What are the key properties of 3-[(2,5-dioxopyrrolidin-1-yl)methyl]-4-fluorobenzohydrazide?
3-[(2,5-dioxopyrrolidin-1-yl)methyl]-4-fluorobenzohydrazide has a molecular weight of 265.24 g/mol, XLogP of 0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dioxopyrrolidin-1-yl)methyl]-4-fluorobenzohydrazide is sourced from PubChem (CID 107458852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).