N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenylacetyl)benzohydrazide

C27H23N3O6 — CID 4211772

IUPACN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenylacetyl)benzohydrazide
SMILESO=C(Cc1ccccc1)NN(C(=O)c1ccccc1)C1CC(=O)N(c2ccc3c(c2)OCCO3)C1=O
InChIInChI=1S/C27H23N3O6/c31-24(15-18-7-3-1-4-8-18)28-30(26(33)19-9-5-2-6-10-19)21-17-25(32)29(27(21)34)20-11-12-22-23(16-20)36-14-13-35-22/h1-12,16,21H,13-15,17H2,(H,28,31)
InChIKeySQGZFIIKNHYTAS-UHFFFAOYSA-N
MW485.50 g/mol
LogP2.51
Rot. Bonds5

About N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenylacetyl)benzohydrazide

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenylacetyl)benzohydrazide (PubChem CID 4211772) has the molecular formula C27H23N3O6 and a molecular weight of 485.50 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenylacetyl)benzohydrazide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenylacetyl)benzohydrazide
PubChem CID4211772
Molecular FormulaC27H23N3O6
Molecular Weight485.50 g/mol
Exact Mass485.16
IUPAC NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenylacetyl)benzohydrazide
SMILESO=C(Cc1ccccc1)NN(C(=O)c1ccccc1)C1CC(=O)N(c2ccc3c(c2)OCCO3)C1=O
InChIInChI=1S/C27H23N3O6/c31-24(15-18-7-3-1-4-8-18)28-30(26(33)19-9-5-2-6-10-19)21-17-25(32)29(27(21)34)20-11-12-22-23(16-20)36-14-13-35-22/h1-12,16,21H,13-15,17H2,(H,28,31)
InChIKeySQGZFIIKNHYTAS-UHFFFAOYSA-N
XLogP2.51
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.50
LogP ≤ 52.51
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'-benzoyl-2-fluorobenzohydrazide
CID 4208372
N'-benzoyl-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dioxopyrrolidin-3-yl]-2-methylbenzohydrazide
CID 3696838
N'-[1-(1,3-benzodioxol-5-yl)-2,5-dioxopyrrolidin-3-yl]-N'-benzoylpyridine-4-carbohydrazide
CID 3288338
4-methoxy-N-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenylacetyl)benzohydrazide
CID 3836875
N-[1-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-4-nitro-N'-(2-phenylacetyl)benzohydrazide
CID 3430216
N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-thiophen-2-ylacetyl)benzohydrazide
CID 3296136
N'-acetyl-N'-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dioxopyrrolidin-3-yl]-2-naphthalen-1-yloxyacetohydrazide
CID 3645428
N'-acetyl-N'-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dioxopyrrolidin-3-yl]-4-methylbenzohydrazide
CID 5100494
N'-benzoyl-N'-[1-(3,5-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 3255352
N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)benzamide
CID 4671263
N'-benzoyl-N'-[1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-3-carbohydrazide
CID 4242541
N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-4-nitro-N'-(2-thiophen-2-ylacetyl)benzohydrazide
CID 5033463

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenylacetyl)benzohydrazide?
The IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenylacetyl)benzohydrazide (CID 4211772) is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenylacetyl)benzohydrazide.
What is the SMILES notation for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenylacetyl)benzohydrazide?
The canonical SMILES for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenylacetyl)benzohydrazide is O=C(Cc1ccccc1)NN(C(=O)c1ccccc1)C1CC(=O)N(c2ccc3c(c2)OCCO3)C1=O.
What is the InChIKey of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenylacetyl)benzohydrazide?
The InChIKey is SQGZFIIKNHYTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O6/c31-24(15-18-7-3-1-4-8-18)28-30(26(33)19-9-5-2-6-10-19)21-17-25(32)29(27(21)34)20-11-12-22-23(16-20)36-14-13-35-22/h1-12,16,21H,13-15,17H2,(H,28,31).
What are the key properties of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenylacetyl)benzohydrazide?
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenylacetyl)benzohydrazide has a molecular weight of 485.50 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenylacetyl)benzohydrazide is sourced from PubChem (CID 4211772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).