N'-[1-(1,3-benzodioxol-5-yl)-2,5-dioxopyrrolidin-3-yl]-N'-benzoyl-2-fluorobenzohydrazide

C25H18FN3O6 — CID 4208372

IUPACN'-[1-(1,3-benzodioxol-5-yl)-2,5-dioxopyrrolidin-3-yl]-N'-benzoyl-2-fluorobenzohydrazide
SMILESO=C(NN(C(=O)c1ccccc1)C1CC(=O)N(c2ccc3c(c2)OCO3)C1=O)c1ccccc1F
InChIInChI=1S/C25H18FN3O6/c26-18-9-5-4-8-17(18)23(31)27-29(24(32)15-6-2-1-3-7-15)19-13-22(30)28(25(19)33)16-10-11-20-21(12-16)35-14-34-20/h1-12,19H,13-14H2,(H,27,31)
InChIKeySQLFNAHUHALIMW-UHFFFAOYSA-N
MW475.43 g/mol
LogP2.67
Rot. Bonds4

About N'-[1-(1,3-benzodioxol-5-yl)-2,5-dioxopyrrolidin-3-yl]-N'-benzoyl-2-fluorobenzohydrazide

N'-[1-(1,3-benzodioxol-5-yl)-2,5-dioxopyrrolidin-3-yl]-N'-benzoyl-2-fluorobenzohydrazide (PubChem CID 4208372) has the molecular formula C25H18FN3O6 and a molecular weight of 475.43 g/mol. Its IUPAC name is N'-[1-(1,3-benzodioxol-5-yl)-2,5-dioxopyrrolidin-3-yl]-N'-benzoyl-2-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-[1-(1,3-benzodioxol-5-yl)-2,5-dioxopyrrolidin-3-yl]-N'-benzoyl-2-fluorobenzohydrazide
PubChem CID4208372
Molecular FormulaC25H18FN3O6
Molecular Weight475.43 g/mol
Exact Mass475.12
IUPAC NameN'-[1-(1,3-benzodioxol-5-yl)-2,5-dioxopyrrolidin-3-yl]-N'-benzoyl-2-fluorobenzohydrazide
SMILESO=C(NN(C(=O)c1ccccc1)C1CC(=O)N(c2ccc3c(c2)OCO3)C1=O)c1ccccc1F
InChIInChI=1S/C25H18FN3O6/c26-18-9-5-4-8-17(18)23(31)27-29(24(32)15-6-2-1-3-7-15)19-13-22(30)28(25(19)33)16-10-11-20-21(12-16)35-14-34-20/h1-12,19H,13-14H2,(H,27,31)
InChIKeySQLFNAHUHALIMW-UHFFFAOYSA-N
XLogP2.67
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.43
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[1-(1,3-benzodioxol-5-yl)-2,5-dioxopyrrolidin-3-yl]-N'-benzoylpyridine-4-carbohydrazide
CID 3288338
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenylacetyl)benzohydrazide
CID 4211772
N'-benzoyl-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dioxopyrrolidin-3-yl]-2-methylbenzohydrazide
CID 3696838
N'-benzoyl-N'-[1-(3,5-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 3255352
N'-benzoyl-N'-[1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-3-carbohydrazide
CID 4242541
N-[[(3R)-1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidin-3-yl]methyl]-2-fluorobenzamide
CID 40897867
N'-benzoyl-N'-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-nitrobenzohydrazide
CID 3294111
N'-acetyl-N'-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dioxopyrrolidin-3-yl]-4-methylbenzohydrazide
CID 5100494
N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)benzamide
CID 4671263
N'-benzoyl-4-methoxy-N'-[1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 3894788
2-fluoro-N'-(4-methoxybenzoyl)-N-[1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 3975852
N'-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-(4-methoxybenzoyl)-2-nitrobenzohydrazide
CID 4597658

Frequently Asked Questions

What is the IUPAC name of N'-[1-(1,3-benzodioxol-5-yl)-2,5-dioxopyrrolidin-3-yl]-N'-benzoyl-2-fluorobenzohydrazide?
The IUPAC name of N'-[1-(1,3-benzodioxol-5-yl)-2,5-dioxopyrrolidin-3-yl]-N'-benzoyl-2-fluorobenzohydrazide (CID 4208372) is N'-[1-(1,3-benzodioxol-5-yl)-2,5-dioxopyrrolidin-3-yl]-N'-benzoyl-2-fluorobenzohydrazide.
What is the SMILES notation for N'-[1-(1,3-benzodioxol-5-yl)-2,5-dioxopyrrolidin-3-yl]-N'-benzoyl-2-fluorobenzohydrazide?
The canonical SMILES for N'-[1-(1,3-benzodioxol-5-yl)-2,5-dioxopyrrolidin-3-yl]-N'-benzoyl-2-fluorobenzohydrazide is O=C(NN(C(=O)c1ccccc1)C1CC(=O)N(c2ccc3c(c2)OCO3)C1=O)c1ccccc1F.
What is the InChIKey of N'-[1-(1,3-benzodioxol-5-yl)-2,5-dioxopyrrolidin-3-yl]-N'-benzoyl-2-fluorobenzohydrazide?
The InChIKey is SQLFNAHUHALIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FN3O6/c26-18-9-5-4-8-17(18)23(31)27-29(24(32)15-6-2-1-3-7-15)19-13-22(30)28(25(19)33)16-10-11-20-21(12-16)35-14-34-20/h1-12,19H,13-14H2,(H,27,31).
What are the key properties of N'-[1-(1,3-benzodioxol-5-yl)-2,5-dioxopyrrolidin-3-yl]-N'-benzoyl-2-fluorobenzohydrazide?
N'-[1-(1,3-benzodioxol-5-yl)-2,5-dioxopyrrolidin-3-yl]-N'-benzoyl-2-fluorobenzohydrazide has a molecular weight of 475.43 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(1,3-benzodioxol-5-yl)-2,5-dioxopyrrolidin-3-yl]-N'-benzoyl-2-fluorobenzohydrazide is sourced from PubChem (CID 4208372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).