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

C9H8F2N2O3 — CID 24690664

IUPAC2-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide
SMILESNCC(=O)Nc1ccc2c(c1)OC(F)(F)O2
InChIInChI=1S/C9H8F2N2O3/c10-9(11)15-6-2-1-5(3-7(6)16-9)13-8(14)4-12/h1-3H,4,12H2,(H,13,14)
InChIKeyZLOFPPOHSSPJEH-UHFFFAOYSA-N
MW230.17 g/mol
LogP0.91
Rot. Bonds2

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

2-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide (PubChem CID 24690664) has the molecular formula C9H8F2N2O3 and a molecular weight of 230.17 g/mol. Its IUPAC name is 2-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide
PubChem CID24690664
Molecular FormulaC9H8F2N2O3
Molecular Weight230.17 g/mol
Exact Mass230.05
IUPAC Name2-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide
SMILESNCC(=O)Nc1ccc2c(c1)OC(F)(F)O2
InChIInChI=1S/C9H8F2N2O3/c10-9(11)15-6-2-1-5(3-7(6)16-9)13-8(14)4-12/h1-3H,4,12H2,(H,13,14)
InChIKeyZLOFPPOHSSPJEH-UHFFFAOYSA-N
XLogP0.91
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
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

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Related Compounds

6-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)hexanamide
CID 24691510
3-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)butanamide;hydrochloride
CID 119693705
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(4-fluorophenoxy)acetamide
CID 7817876
2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]acetamide
CID 28577635
3-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,2-dimethylpropanamide;hydrochloride
CID 119693687
2-(azepan-1-ium-1-yl)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide
CID 2461345
[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] N,N-dimethylcarbamodithioate
CID 3615855
[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] benzoate
CID 7868398
[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] but-2-enoate
CID 3886925
[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 7273738
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 26954281
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[[5-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 2425975

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide?
The IUPAC name of 2-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide (CID 24690664) is 2-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide.
What is the SMILES notation for 2-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide?
The canonical SMILES for 2-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide is NCC(=O)Nc1ccc2c(c1)OC(F)(F)O2.
What is the InChIKey of 2-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide?
The InChIKey is ZLOFPPOHSSPJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2O3/c10-9(11)15-6-2-1-5(3-7(6)16-9)13-8(14)4-12/h1-3H,4,12H2,(H,13,14).
What are the key properties of 2-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide?
2-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide has a molecular weight of 230.17 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide is sourced from PubChem (CID 24690664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).