N'-[2-(4-chlorophenyl)acetyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide

C18H17ClN2O4 — CID 46698299

IUPACN'-[2-(4-chlorophenyl)acetyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
SMILESCC1Oc2ccccc2OC1C(=O)NNC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C18H17ClN2O4/c1-11-17(25-15-5-3-2-4-14(15)24-11)18(23)21-20-16(22)10-12-6-8-13(19)9-7-12/h2-9,11,17H,10H2,1H3,(H,20,22)(H,21,23)
InChIKeyRNBHJLAEJHFYSU-UHFFFAOYSA-N
MW360.80 g/mol
LogP2.26
Rot. Bonds3

About N'-[2-(4-chlorophenyl)acetyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide

N'-[2-(4-chlorophenyl)acetyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide (PubChem CID 46698299) has the molecular formula C18H17ClN2O4 and a molecular weight of 360.80 g/mol. Its IUPAC name is N'-[2-(4-chlorophenyl)acetyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-chlorophenyl)acetyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
PubChem CID46698299
Molecular FormulaC18H17ClN2O4
Molecular Weight360.80 g/mol
Exact Mass360.09
IUPAC NameN'-[2-(4-chlorophenyl)acetyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
SMILESCC1Oc2ccccc2OC1C(=O)NNC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C18H17ClN2O4/c1-11-17(25-15-5-3-2-4-14(15)24-11)18(23)21-20-16(22)10-12-6-8-13(19)9-7-12/h2-9,11,17H,10H2,1H3,(H,20,22)(H,21,23)
InChIKeyRNBHJLAEJHFYSU-UHFFFAOYSA-N
XLogP2.26
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.80
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-[2-(4-chlorophenyl)acetyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chlorophenyl)acetyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide?
The IUPAC name of N'-[2-(4-chlorophenyl)acetyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide (CID 46698299) is N'-[2-(4-chlorophenyl)acetyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide.
What is the SMILES notation for N'-[2-(4-chlorophenyl)acetyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide?
The canonical SMILES for N'-[2-(4-chlorophenyl)acetyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide is CC1Oc2ccccc2OC1C(=O)NNC(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of N'-[2-(4-chlorophenyl)acetyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide?
The InChIKey is RNBHJLAEJHFYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O4/c1-11-17(25-15-5-3-2-4-14(15)24-11)18(23)21-20-16(22)10-12-6-8-13(19)9-7-12/h2-9,11,17H,10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(4-chlorophenyl)acetyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide?
N'-[2-(4-chlorophenyl)acetyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide has a molecular weight of 360.80 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chlorophenyl)acetyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide is sourced from PubChem (CID 46698299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).