N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-morpholin-4-ylacetamide

C13H14F2N2O4 — CID 2465911

IUPACN-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1ccc2c(c1)OC(F)(F)O2
InChIInChI=1S/C13H14F2N2O4/c14-13(15)20-10-2-1-9(7-11(10)21-13)16-12(18)8-17-3-5-19-6-4-17/h1-2,7H,3-6,8H2,(H,16,18)
InChIKeyGLRPMDRGMCMRKG-UHFFFAOYSA-N
MW300.26 g/mol
LogP1.28
Rot. Bonds3

About N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-morpholin-4-ylacetamide

N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-morpholin-4-ylacetamide (PubChem CID 2465911) has the molecular formula C13H14F2N2O4 and a molecular weight of 300.26 g/mol. Its IUPAC name is N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-morpholin-4-ylacetamide
PubChem CID2465911
Molecular FormulaC13H14F2N2O4
Molecular Weight300.26 g/mol
Exact Mass300.09
IUPAC NameN-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1ccc2c(c1)OC(F)(F)O2
InChIInChI=1S/C13H14F2N2O4/c14-13(15)20-10-2-1-9(7-11(10)21-13)16-12(18)8-17-3-5-19-6-4-17/h1-2,7H,3-6,8H2,(H,16,18)
InChIKeyGLRPMDRGMCMRKG-UHFFFAOYSA-N
XLogP1.28
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.26
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-morpholin-4-ylacetamide?
The IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-morpholin-4-ylacetamide (CID 2465911) is N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-morpholin-4-ylacetamide?
The canonical SMILES for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-morpholin-4-ylacetamide is O=C(CN1CCOCC1)Nc1ccc2c(c1)OC(F)(F)O2.
What is the InChIKey of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-morpholin-4-ylacetamide?
The InChIKey is GLRPMDRGMCMRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O4/c14-13(15)20-10-2-1-9(7-11(10)21-13)16-12(18)8-17-3-5-19-6-4-17/h1-2,7H,3-6,8H2,(H,16,18).
What are the key properties of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-morpholin-4-ylacetamide?
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-morpholin-4-ylacetamide has a molecular weight of 300.26 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-morpholin-4-ylacetamide is sourced from PubChem (CID 2465911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).