2-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(oxan-4-yl)acetamide;hydrochloride

C14H17ClF2N2O4 — CID 120784707

IUPAC2-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCl.NC(C(=O)Nc1ccc2c(c1)OC(F)(F)O2)C1CCOCC1
InChIInChI=1S/C14H16F2N2O4.ClH/c15-14(16)21-10-2-1-9(7-11(10)22-14)18-13(19)12(17)8-3-5-20-6-4-8;/h1-2,7-8,12H,3-6,17H2,(H,18,19);1H
InChIKeySLUIUGKMOGLPQS-UHFFFAOYSA-N
MW350.75 g/mol
LogP2.12
Rot. Bonds3

About 2-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(oxan-4-yl)acetamide;hydrochloride

2-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(oxan-4-yl)acetamide;hydrochloride (PubChem CID 120784707) has the molecular formula C14H17ClF2N2O4 and a molecular weight of 350.75 g/mol. Its IUPAC name is 2-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(oxan-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(oxan-4-yl)acetamide;hydrochloride
PubChem CID120784707
Molecular FormulaC14H17ClF2N2O4
Molecular Weight350.75 g/mol
Exact Mass350.08
IUPAC Name2-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCl.NC(C(=O)Nc1ccc2c(c1)OC(F)(F)O2)C1CCOCC1
InChIInChI=1S/C14H16F2N2O4.ClH/c15-14(16)21-10-2-1-9(7-11(10)22-14)18-13(19)12(17)8-3-5-20-6-4-8;/h1-2,7-8,12H,3-6,17H2,(H,18,19);1H
InChIKeySLUIUGKMOGLPQS-UHFFFAOYSA-N
XLogP2.12
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.75
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(3,4-difluorophenyl)-2-(oxan-4-yl)acetamide
CID 120782962
2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120787891
(2S)-2-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-methylbutanamide;hydrochloride
CID 119273486
2-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-methylbutanamide
CID 24702400
N-(3-acetamido-4-fluorophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride
CID 120785529
2-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3,3-dimethylbutanamide
CID 76892326
N-(3-acetamidophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride
CID 120782773
(S)-(2,2-difluoro-1,3-benzodioxol-5-yl)-(oxan-4-yl)methanamine;hydrochloride
CID 171244891
2-amino-N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-2-(oxan-4-yl)acetamide
CID 120800496
2-amino-N-(3-iodo-4-methylphenyl)-2-(oxan-4-yl)acetamide
CID 120783594
2-amino-N-(4-methyl-3-sulfamoylphenyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120784349
2-amino-N-[3-(1,3-dithiolan-2-yl)phenyl]-2-(oxan-4-yl)acetamide
CID 120784582

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(oxan-4-yl)acetamide;hydrochloride?
The IUPAC name of 2-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(oxan-4-yl)acetamide;hydrochloride (CID 120784707) is 2-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(oxan-4-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(oxan-4-yl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(oxan-4-yl)acetamide;hydrochloride is Cl.NC(C(=O)Nc1ccc2c(c1)OC(F)(F)O2)C1CCOCC1.
What is the InChIKey of 2-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(oxan-4-yl)acetamide;hydrochloride?
The InChIKey is SLUIUGKMOGLPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O4.ClH/c15-14(16)21-10-2-1-9(7-11(10)22-14)18-13(19)12(17)8-3-5-20-6-4-8;/h1-2,7-8,12H,3-6,17H2,(H,18,19);1H.
What are the key properties of 2-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(oxan-4-yl)acetamide;hydrochloride?
2-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(oxan-4-yl)acetamide;hydrochloride has a molecular weight of 350.75 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(oxan-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 120784707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).