2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]acetamide

C9H8F2N2O3 — CID 28577635

IUPAC2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]acetamide
SMILESNC(=O)CNc1ccc2c(c1)OC(F)(F)O2
InChIInChI=1S/C9H8F2N2O3/c10-9(11)15-6-2-1-5(3-7(6)16-9)13-4-8(12)14/h1-3,13H,4H2,(H2,12,14)
InChIKeyFHKWCEBZHYZTNF-UHFFFAOYSA-N
MW230.17 g/mol
LogP0.91
Rot. Bonds3

About 2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]acetamide

2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]acetamide (PubChem CID 28577635) has the molecular formula C9H8F2N2O3 and a molecular weight of 230.17 g/mol. Its IUPAC name is 2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]acetamide.

Molecular Properties

Compound Name2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]acetamide
PubChem CID28577635
Molecular FormulaC9H8F2N2O3
Molecular Weight230.17 g/mol
Exact Mass230.05
IUPAC Name2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]acetamide
SMILESNC(=O)CNc1ccc2c(c1)OC(F)(F)O2
InChIInChI=1S/C9H8F2N2O3/c10-9(11)15-6-2-1-5(3-7(6)16-9)13-4-8(12)14/h1-3,13H,4H2,(H2,12,14)
InChIKeyFHKWCEBZHYZTNF-UHFFFAOYSA-N
XLogP0.91
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.17
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]acetamide 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-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide
CID 24690664
2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-N-(3-methoxypropyl)acetamide
CID 60673317
2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 55412776
N-(5-chloro-2-methylphenyl)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]acetamide
CID 18096937
3-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,2-dimethylpropanamide;hydrochloride
CID 119693687
N-butyl-2,2-difluoro-1,3-benzodioxol-5-amine
CID 29277454
2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 55471148
2-bromo-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-methylpropanamide
CID 116816927
N-(3-chloro-4-methoxyphenyl)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]acetamide
CID 18096944
N-benzyl-2,2-difluoro-1,3-benzodioxol-5-amine
CID 28510098
2-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3,3-dimethylbutanamide
CID 76892326
3-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)butanamide;hydrochloride
CID 119693705

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]acetamide?
The IUPAC name of 2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]acetamide (CID 28577635) is 2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]acetamide.
What is the SMILES notation for 2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]acetamide?
The canonical SMILES for 2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]acetamide is NC(=O)CNc1ccc2c(c1)OC(F)(F)O2.
What is the InChIKey of 2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]acetamide?
The InChIKey is FHKWCEBZHYZTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2O3/c10-9(11)15-6-2-1-5(3-7(6)16-9)13-4-8(12)14/h1-3,13H,4H2,(H2,12,14).
What are the key properties of 2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]acetamide?
2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]acetamide has a molecular weight of 230.17 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]acetamide is sourced from PubChem (CID 28577635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).