5-chloro-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide

C9H9ClN2O3 — CID 43236687

IUPAC5-chloro-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide
SMILESNNC(=O)c1cc(Cl)c2c(c1)OCCO2
InChIInChI=1S/C9H9ClN2O3/c10-6-3-5(9(13)12-11)4-7-8(6)15-2-1-14-7/h3-4H,1-2,11H2,(H,12,13)
InChIKeyZHQFWJFDOPOKEY-UHFFFAOYSA-N
MW228.63 g/mol
LogP0.71
Rot. Bonds1

About 5-chloro-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide

5-chloro-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide (PubChem CID 43236687) has the molecular formula C9H9ClN2O3 and a molecular weight of 228.63 g/mol. Its IUPAC name is 5-chloro-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide.

Molecular Properties

Compound Name5-chloro-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide
PubChem CID43236687
Molecular FormulaC9H9ClN2O3
Molecular Weight228.63 g/mol
Exact Mass228.03
IUPAC Name5-chloro-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide
SMILESNNC(=O)c1cc(Cl)c2c(c1)OCCO2
InChIInChI=1S/C9H9ClN2O3/c10-6-3-5(9(13)12-11)4-7-8(6)15-2-1-14-7/h3-4H,1-2,11H2,(H,12,13)
InChIKeyZHQFWJFDOPOKEY-UHFFFAOYSA-N
XLogP0.71
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.63
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-chloro-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 27648173
5-chloro-N-[1-(hydroxymethyl)cyclopropyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 115877596
5-chloro-N-[(2S)-5-methylhexan-2-yl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 32652358
5-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 43500876
diethyl 2-[(5-chloro-2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]propanedioate
CID 33245236
[3-(5-chloro-2,3-dihydro-1,4-benzodioxine-7-carbonyl)oxy-2-oxopropyl] 5-chloro-2,3-dihydro-1,4-benzodioxine-7-carboxylate
CID 31707236
(2R)-2-[(5-chloro-2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]propanoic acid
CID 54990844
5-chloro-N-(3-hydroxy-2-methylpropyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 65036686
2-[(5-chloro-2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]-4-hydroxybutanoic acid
CID 61244380
5-chloro-N,N-diethyl-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 60651938
5-chloro-N-(3-hydroxypentyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 115703757
6-chloro-N-(2-methylbutan-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide
CID 46554789

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide?
The IUPAC name of 5-chloro-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide (CID 43236687) is 5-chloro-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide.
What is the SMILES notation for 5-chloro-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide?
The canonical SMILES for 5-chloro-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide is NNC(=O)c1cc(Cl)c2c(c1)OCCO2.
What is the InChIKey of 5-chloro-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide?
The InChIKey is ZHQFWJFDOPOKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O3/c10-6-3-5(9(13)12-11)4-7-8(6)15-2-1-14-7/h3-4H,1-2,11H2,(H,12,13).
What are the key properties of 5-chloro-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide?
5-chloro-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide has a molecular weight of 228.63 g/mol, XLogP of 0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide is sourced from PubChem (CID 43236687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).