N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydrazinylbenzamide

C15H15N3O3 — CID 62237289

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydrazinylbenzamide
SMILESNNc1ccccc1C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C15H15N3O3/c16-18-12-4-2-1-3-11(12)15(19)17-10-5-6-13-14(9-10)21-8-7-20-13/h1-6,9,18H,7-8,16H2,(H,17,19)
InChIKeyMSZHCOBDYWSTJS-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.00
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydrazinylbenzamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydrazinylbenzamide (PubChem CID 62237289) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydrazinylbenzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydrazinylbenzamide
PubChem CID62237289
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydrazinylbenzamide
SMILESNNc1ccccc1C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C15H15N3O3/c16-18-12-4-2-1-3-11(12)15(19)17-10-5-6-13-14(9-10)21-8-7-20-13/h1-6,9,18H,7-8,16H2,(H,17,19)
InChIKeyMSZHCOBDYWSTJS-UHFFFAOYSA-N
XLogP2.00
TPSA85.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-fluorobenzoyl)benzamide
CID 36653806
2-amino-3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 115539984
N-(1,3-benzodioxol-5-yl)-2-(4-fluoroanilino)benzamide
CID 30887113
1-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109049332
N-(1,3-benzodioxol-5-yl)-2-[(2,2-diphenylacetyl)amino]benzamide
CID 2559897
5-amino-2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 28723038
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylsulfanylbenzamide
CID 42125647
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxy-3-methylbenzamide
CID 2996052
N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 2649687
2-hydrazinyl-N-phenylbenzamide
CID 12569370
methyl 3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)phenyl]sulfamoyl]benzoate
CID 31701349
5-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoyl]amino]-2-fluorobenzamide
CID 55618964

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydrazinylbenzamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydrazinylbenzamide (CID 62237289) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydrazinylbenzamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydrazinylbenzamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydrazinylbenzamide is NNc1ccccc1C(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydrazinylbenzamide?
The InChIKey is MSZHCOBDYWSTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c16-18-12-4-2-1-3-11(12)15(19)17-10-5-6-13-14(9-10)21-8-7-20-13/h1-6,9,18H,7-8,16H2,(H,17,19).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydrazinylbenzamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydrazinylbenzamide has a molecular weight of 285.30 g/mol, XLogP of 2.00, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydrazinylbenzamide is sourced from PubChem (CID 62237289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).