3-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,2-dimethylpropanamide;hydrochloride

C12H15ClF2N2O3 — CID 119693687

IUPAC3-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,2-dimethylpropanamide;hydrochloride
SMILESCC(C)(CN)C(=O)Nc1ccc2c(c1)OC(F)(F)O2.Cl
InChIInChI=1S/C12H14F2N2O3.ClH/c1-11(2,6-15)10(17)16-7-3-4-8-9(5-7)19-12(13,14)18-8;/h3-5H,6,15H2,1-2H3,(H,16,17);1H
InChIKeyQAVKAXAPIICOOZ-UHFFFAOYSA-N
MW308.71 g/mol
LogP2.35
Rot. Bonds3

About 3-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,2-dimethylpropanamide;hydrochloride

3-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,2-dimethylpropanamide;hydrochloride (PubChem CID 119693687) has the molecular formula C12H15ClF2N2O3 and a molecular weight of 308.71 g/mol. Its IUPAC name is 3-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,2-dimethylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,2-dimethylpropanamide;hydrochloride
PubChem CID119693687
Molecular FormulaC12H15ClF2N2O3
Molecular Weight308.71 g/mol
Exact Mass308.07
IUPAC Name3-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,2-dimethylpropanamide;hydrochloride
SMILESCC(C)(CN)C(=O)Nc1ccc2c(c1)OC(F)(F)O2.Cl
InChIInChI=1S/C12H14F2N2O3.ClH/c1-11(2,6-15)10(17)16-7-3-4-8-9(5-7)19-12(13,14)18-8;/h3-5H,6,15H2,1-2H3,(H,16,17);1H
InChIKeyQAVKAXAPIICOOZ-UHFFFAOYSA-N
XLogP2.35
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.71
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-methylpropanamide
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2-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide
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2-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3,3-dimethylbutanamide
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3-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)butanamide;hydrochloride
CID 119693705
(2S)-2-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-methylbutanamide;hydrochloride
CID 119273486
2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]acetamide
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3-amino-2,2-dimethyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide;hydrochloride
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6-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)hexanamide
CID 24691510
methyl 2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoacetate
CID 112616624
2-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-methylbutanamide
CID 24702400
3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,2-dimethylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,2-dimethylpropanamide;hydrochloride (CID 119693687) is 3-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,2-dimethylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,2-dimethylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,2-dimethylpropanamide;hydrochloride is CC(C)(CN)C(=O)Nc1ccc2c(c1)OC(F)(F)O2.Cl.
What is the InChIKey of 3-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,2-dimethylpropanamide;hydrochloride?
The InChIKey is QAVKAXAPIICOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O3.ClH/c1-11(2,6-15)10(17)16-7-3-4-8-9(5-7)19-12(13,14)18-8;/h3-5H,6,15H2,1-2H3,(H,16,17);1H.
What are the key properties of 3-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,2-dimethylpropanamide;hydrochloride?
3-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,2-dimethylpropanamide;hydrochloride has a molecular weight of 308.71 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,2-dimethylpropanamide;hydrochloride is sourced from PubChem (CID 119693687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).