N'-(5-methyl-1-benzofuran-2-carbonyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide

C19H16N2O5 — CID 60550613

IUPACN'-(5-methyl-1-benzofuran-2-carbonyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
SMILESCc1ccc2oc(C(=O)NNC(=O)C3COc4ccccc4O3)cc2c1
InChIInChI=1S/C19H16N2O5/c1-11-6-7-13-12(8-11)9-16(25-13)18(22)20-21-19(23)17-10-24-14-4-2-3-5-15(14)26-17/h2-9,17H,10H2,1H3,(H,20,22)(H,21,23)
InChIKeyXTNUVRMRQVJFRZ-UHFFFAOYSA-N
MW352.35 g/mol
LogP2.34
Rot. Bonds2

About N'-(5-methyl-1-benzofuran-2-carbonyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide

N'-(5-methyl-1-benzofuran-2-carbonyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide (PubChem CID 60550613) has the molecular formula C19H16N2O5 and a molecular weight of 352.35 g/mol. Its IUPAC name is N'-(5-methyl-1-benzofuran-2-carbonyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(5-methyl-1-benzofuran-2-carbonyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
PubChem CID60550613
Molecular FormulaC19H16N2O5
Molecular Weight352.35 g/mol
Exact Mass352.11
IUPAC NameN'-(5-methyl-1-benzofuran-2-carbonyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
SMILESCc1ccc2oc(C(=O)NNC(=O)C3COc4ccccc4O3)cc2c1
InChIInChI=1S/C19H16N2O5/c1-11-6-7-13-12(8-11)9-16(25-13)18(22)20-21-19(23)17-10-24-14-4-2-3-5-15(14)26-17/h2-9,17H,10H2,1H3,(H,20,22)(H,21,23)
InChIKeyXTNUVRMRQVJFRZ-UHFFFAOYSA-N
XLogP2.34
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(5-chloro-1-benzofuran-2-carbonyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 60616088
N'-(5-bromo-1-benzofuran-2-carbonyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 55648410
(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)urea
CID 60704410
N-(2-amino-5-methylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 115912259
N'-(3,4-dimethylbenzoyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 42888339
N'-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-2,4-dimethyl-1,3-thiazole-5-carbohydrazide
CID 47004572
N'-(4-ethylbenzoyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 42889119
N'-(3-hydroxynaphthalene-2-carbonyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 43016628
(3S)-N'-prop-1-en-2-yl-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 2367871
N'-(3-methoxy-4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 46671173
(3S)-N'-[2-(3-methylphenoxy)acetyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 7728635
N'-(3,4-difluorobenzoyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 78803520

Frequently Asked Questions

What is the IUPAC name of N'-(5-methyl-1-benzofuran-2-carbonyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide?
The IUPAC name of N'-(5-methyl-1-benzofuran-2-carbonyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide (CID 60550613) is N'-(5-methyl-1-benzofuran-2-carbonyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide.
What is the SMILES notation for N'-(5-methyl-1-benzofuran-2-carbonyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide?
The canonical SMILES for N'-(5-methyl-1-benzofuran-2-carbonyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide is Cc1ccc2oc(C(=O)NNC(=O)C3COc4ccccc4O3)cc2c1.
What is the InChIKey of N'-(5-methyl-1-benzofuran-2-carbonyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide?
The InChIKey is XTNUVRMRQVJFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O5/c1-11-6-7-13-12(8-11)9-16(25-13)18(22)20-21-19(23)17-10-24-14-4-2-3-5-15(14)26-17/h2-9,17H,10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N'-(5-methyl-1-benzofuran-2-carbonyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide?
N'-(5-methyl-1-benzofuran-2-carbonyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide has a molecular weight of 352.35 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-methyl-1-benzofuran-2-carbonyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide is sourced from PubChem (CID 60550613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).