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

C14H16FN3O3 — CID 107459005

IUPAC3-[(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)methyl]-4-fluorobenzohydrazide
SMILESCC1C(=O)N(Cc2cc(C(=O)NN)ccc2F)C(=O)C1C
InChIInChI=1S/C14H16FN3O3/c1-7-8(2)14(21)18(13(7)20)6-10-5-9(12(19)17-16)3-4-11(10)15/h3-5,7-8H,6,16H2,1-2H3,(H,17,19)
InChIKeyCIMGPTBMEMAABA-UHFFFAOYSA-N
MW293.30 g/mol
LogP0.57
Rot. Bonds3

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

3-[(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)methyl]-4-fluorobenzohydrazide (PubChem CID 107459005) has the molecular formula C14H16FN3O3 and a molecular weight of 293.30 g/mol. Its IUPAC name is 3-[(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)methyl]-4-fluorobenzohydrazide.

Molecular Properties

Compound Name3-[(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)methyl]-4-fluorobenzohydrazide
PubChem CID107459005
Molecular FormulaC14H16FN3O3
Molecular Weight293.30 g/mol
Exact Mass293.12
IUPAC Name3-[(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)methyl]-4-fluorobenzohydrazide
SMILESCC1C(=O)N(Cc2cc(C(=O)NN)ccc2F)C(=O)C1C
InChIInChI=1S/C14H16FN3O3/c1-7-8(2)14(21)18(13(7)20)6-10-5-9(12(19)17-16)3-4-11(10)15/h3-5,7-8H,6,16H2,1-2H3,(H,17,19)
InChIKeyCIMGPTBMEMAABA-UHFFFAOYSA-N
XLogP0.57
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 50.57
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-[(2,5-dioxopyrrolidin-1-yl)methyl]-4-fluorobenzohydrazide
CID 107458852
4-fluoro-3-[(3-methyl-2-oxoimidazol-1-yl)methyl]benzohydrazide
CID 107459017
3-[(2,4-dimethylpiperidin-1-yl)methyl]-4-fluorobenzohydrazide
CID 107458460
3-[(2,3-dimethylthiomorpholin-4-yl)methyl]-4-fluorobenzohydrazide
CID 107458745
3-[(4-ethylpiperidin-1-yl)methyl]-4-fluorobenzohydrazide
CID 107458588
4-fluoro-3-[(3-methylmorpholin-4-yl)methyl]benzohydrazide
CID 107458428
3-amino-4-[(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 79181075
3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-fluorobenzohydrazide
CID 107458944
3-[[ethyl(methyl)amino]methyl]-4-fluorobenzohydrazide
CID 107458406
1-[(2-amino-4-chlorophenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 79181701
4-fluoro-3-[(2-propylpiperidin-1-yl)methyl]benzohydrazide
CID 107458723
3-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-4-fluorobenzohydrazide
CID 107458941

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)methyl]-4-fluorobenzohydrazide?
The IUPAC name of 3-[(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)methyl]-4-fluorobenzohydrazide (CID 107459005) is 3-[(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)methyl]-4-fluorobenzohydrazide.
What is the SMILES notation for 3-[(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)methyl]-4-fluorobenzohydrazide?
The canonical SMILES for 3-[(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)methyl]-4-fluorobenzohydrazide is CC1C(=O)N(Cc2cc(C(=O)NN)ccc2F)C(=O)C1C.
What is the InChIKey of 3-[(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)methyl]-4-fluorobenzohydrazide?
The InChIKey is CIMGPTBMEMAABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O3/c1-7-8(2)14(21)18(13(7)20)6-10-5-9(12(19)17-16)3-4-11(10)15/h3-5,7-8H,6,16H2,1-2H3,(H,17,19).
What are the key properties of 3-[(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)methyl]-4-fluorobenzohydrazide?
3-[(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)methyl]-4-fluorobenzohydrazide has a molecular weight of 293.30 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)methyl]-4-fluorobenzohydrazide is sourced from PubChem (CID 107459005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).