3-benzyl-N'-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-4-oxophthalazine-1-carbohydrazide

C26H19FN4O4 — CID 25494783

IUPAC3-benzyl-N'-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-4-oxophthalazine-1-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)oc2ccc(F)cc12
InChIInChI=1S/C26H19FN4O4/c1-15-20-13-17(27)11-12-21(20)35-23(15)25(33)29-28-24(32)22-18-9-5-6-10-19(18)26(34)31(30-22)14-16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,28,32)(H,29,33)
InChIKeyJGDRYLGCSKVNRD-UHFFFAOYSA-N
MW470.46 g/mol
LogP3.71
Rot. Bonds4

About 3-benzyl-N'-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-4-oxophthalazine-1-carbohydrazide

3-benzyl-N'-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-4-oxophthalazine-1-carbohydrazide (PubChem CID 25494783) has the molecular formula C26H19FN4O4 and a molecular weight of 470.46 g/mol. Its IUPAC name is 3-benzyl-N'-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-4-oxophthalazine-1-carbohydrazide.

Molecular Properties

Compound Name3-benzyl-N'-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-4-oxophthalazine-1-carbohydrazide
PubChem CID25494783
Molecular FormulaC26H19FN4O4
Molecular Weight470.46 g/mol
Exact Mass470.14
IUPAC Name3-benzyl-N'-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-4-oxophthalazine-1-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)oc2ccc(F)cc12
InChIInChI=1S/C26H19FN4O4/c1-15-20-13-17(27)11-12-21(20)35-23(15)25(33)29-28-24(32)22-18-9-5-6-10-19(18)26(34)31(30-22)14-16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,28,32)(H,29,33)
InChIKeyJGDRYLGCSKVNRD-UHFFFAOYSA-N
XLogP3.71
TPSA106.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.46
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-benzyl-4-oxophthalazine-1-carbonyl)-3-methyl-1,2-oxazole-5-carbohydrazide
CID 34057526
N'-(5-bromo-3-methyl-1-benzofuran-2-carbonyl)-3-methyl-4-oxophthalazine-1-carbohydrazide
CID 3891002
3-benzyl-4-oxo-N'-(2-oxochromene-3-carbonyl)phthalazine-1-carbohydrazide
CID 4995460
3-ethyl-N'-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)-4-oxophthalazine-1-carbohydrazide
CID 9087227
[2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl] 3-benzyl-4-oxophthalazine-1-carboxylate
CID 55305662
3-benzyl-N'-[3-(4-fluorophenyl)sulfanylpropanoyl]-4-oxophthalazine-1-carbohydrazide
CID 25435249
5-fluoro-3-methyl-N'-[2-(4-phenylmethoxyphenoxy)acetyl]-1-benzofuran-2-carbohydrazide
CID 24502823
3-benzyl-N-(2-methyl-1,3-benzoxazol-5-yl)-4-oxophthalazine-1-carboxamide
CID 26683215
3-benzyl-N-(3-fluoro-4-methylphenyl)-4-oxophthalazine-1-carboxamide
CID 24652605
N-[1-[2-(3-benzyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-1-oxopropan-2-yl]acetamide
CID 24636769
(4-benzyl-1,4-diazepan-1-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 18157490
3-benzyl-N'-(2-naphthalen-1-yloxyacetyl)-4-oxophthalazine-1-carbohydrazide
CID 24636832

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N'-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-4-oxophthalazine-1-carbohydrazide?
The IUPAC name of 3-benzyl-N'-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-4-oxophthalazine-1-carbohydrazide (CID 25494783) is 3-benzyl-N'-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-4-oxophthalazine-1-carbohydrazide.
What is the SMILES notation for 3-benzyl-N'-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-4-oxophthalazine-1-carbohydrazide?
The canonical SMILES for 3-benzyl-N'-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-4-oxophthalazine-1-carbohydrazide is Cc1c(C(=O)NNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)oc2ccc(F)cc12.
What is the InChIKey of 3-benzyl-N'-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-4-oxophthalazine-1-carbohydrazide?
The InChIKey is JGDRYLGCSKVNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FN4O4/c1-15-20-13-17(27)11-12-21(20)35-23(15)25(33)29-28-24(32)22-18-9-5-6-10-19(18)26(34)31(30-22)14-16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,28,32)(H,29,33).
What are the key properties of 3-benzyl-N'-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-4-oxophthalazine-1-carbohydrazide?
3-benzyl-N'-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-4-oxophthalazine-1-carbohydrazide has a molecular weight of 470.46 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N'-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-4-oxophthalazine-1-carbohydrazide is sourced from PubChem (CID 25494783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).