N'-[2-(2-fluorophenyl)-2-methylpropanoyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide

C19H19FN2O4 — CID 60616476

IUPACN'-[2-(2-fluorophenyl)-2-methylpropanoyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
SMILESCC(C)(C(=O)NNC(=O)C1COc2ccccc2O1)c1ccccc1F
InChIInChI=1S/C19H19FN2O4/c1-19(2,12-7-3-4-8-13(12)20)18(24)22-21-17(23)16-11-25-14-9-5-6-10-15(14)26-16/h3-10,16H,11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyJCLYMAVUMRYCSN-UHFFFAOYSA-N
MW358.37 g/mol
LogP2.09
Rot. Bonds3

About N'-[2-(2-fluorophenyl)-2-methylpropanoyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide

N'-[2-(2-fluorophenyl)-2-methylpropanoyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide (PubChem CID 60616476) has the molecular formula C19H19FN2O4 and a molecular weight of 358.37 g/mol. Its IUPAC name is N'-[2-(2-fluorophenyl)-2-methylpropanoyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2-fluorophenyl)-2-methylpropanoyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
PubChem CID60616476
Molecular FormulaC19H19FN2O4
Molecular Weight358.37 g/mol
Exact Mass358.13
IUPAC NameN'-[2-(2-fluorophenyl)-2-methylpropanoyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
SMILESCC(C)(C(=O)NNC(=O)C1COc2ccccc2O1)c1ccccc1F
InChIInChI=1S/C19H19FN2O4/c1-19(2,12-7-3-4-8-13(12)20)18(24)22-21-17(23)16-11-25-14-9-5-6-10-15(14)26-16/h3-10,16H,11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyJCLYMAVUMRYCSN-UHFFFAOYSA-N
XLogP2.09
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 52.09
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-(2-fluorophenyl)-2-methylpropanoyl]-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

Related Compounds

(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)urea
CID 60704410
(3S)-N'-prop-1-en-2-yl-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 2367871
(3R)-N-(2-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 724290
(3S)-N'-[(2R)-2-(2-fluorophenoxy)propanoyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 7761030
N'-(3,4-difluorobenzoyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 78803520
(3S)-N-[(1S)-1-(2-fluorophenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 9120157
N-[(2R,3S)-1-[2-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]hydrazinyl]-3-hydroxy-1-oxobutan-2-yl]-2,2-dimethylpropanamide
CID 96521481
potassium N-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)carbamodithioate
CID 23710046
(3R)-N'-(2-ethylbutanoyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 51968519
(3S)-N'-(3-fluorobenzoyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 7936971
(3R)-N-[(Z)-1-(2,6-difluorophenyl)ethylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 9238107
N-(4-tert-butylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 19168010

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-fluorophenyl)-2-methylpropanoyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide?
The IUPAC name of N'-[2-(2-fluorophenyl)-2-methylpropanoyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide (CID 60616476) is N'-[2-(2-fluorophenyl)-2-methylpropanoyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide.
What is the SMILES notation for N'-[2-(2-fluorophenyl)-2-methylpropanoyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide?
The canonical SMILES for N'-[2-(2-fluorophenyl)-2-methylpropanoyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide is CC(C)(C(=O)NNC(=O)C1COc2ccccc2O1)c1ccccc1F.
What is the InChIKey of N'-[2-(2-fluorophenyl)-2-methylpropanoyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide?
The InChIKey is JCLYMAVUMRYCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O4/c1-19(2,12-7-3-4-8-13(12)20)18(24)22-21-17(23)16-11-25-14-9-5-6-10-15(14)26-16/h3-10,16H,11H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N'-[2-(2-fluorophenyl)-2-methylpropanoyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide?
N'-[2-(2-fluorophenyl)-2-methylpropanoyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide has a molecular weight of 358.37 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-fluorophenyl)-2-methylpropanoyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide is sourced from PubChem (CID 60616476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).