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

C16H10F2N2O5 — CID 2114683

IUPACN-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESO=C(Cn1c(=O)oc2ccccc21)Nc1ccc2c(c1)OC(F)(F)O2
InChIInChI=1S/C16H10F2N2O5/c17-16(18)24-12-6-5-9(7-13(12)25-16)19-14(21)8-20-10-3-1-2-4-11(10)23-15(20)22/h1-7H,8H2,(H,19,21)
InChIKeyMCRBTBJVDPICFZ-UHFFFAOYSA-N
MW348.26 g/mol
LogP2.55
Rot. Bonds3

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

N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 2114683) has the molecular formula C16H10F2N2O5 and a molecular weight of 348.26 g/mol. Its IUPAC name is N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID2114683
Molecular FormulaC16H10F2N2O5
Molecular Weight348.26 g/mol
Exact Mass348.06
IUPAC NameN-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESO=C(Cn1c(=O)oc2ccccc21)Nc1ccc2c(c1)OC(F)(F)O2
InChIInChI=1S/C16H10F2N2O5/c17-16(18)24-12-6-5-9(7-13(12)25-16)19-14(21)8-20-10-3-1-2-4-11(10)23-15(20)22/h1-7H,8H2,(H,19,21)
InChIKeyMCRBTBJVDPICFZ-UHFFFAOYSA-N
XLogP2.55
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.26
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-oxo-1,3-benzoxazol-3-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
CID 17495957
N-(3-hydroxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 18886705
N-dibenzofuran-3-yl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 2961461
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 1293188
N-(4-fluoro-3-nitrophenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 26696753
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-naphthalen-2-ylsulfanylacetamide
CID 7402808
2-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 2973944
methyl 2-chloro-5-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]benzoate
CID 38238411
N-(4-amino-3,5-dichlorophenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 55450997
N-[4-(dimethylsulfamoyl)phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 2579264
N-[3-(dimethylsulfamoyl)phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 16582070
2-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide
CID 24690664

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 2114683) is N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is O=C(Cn1c(=O)oc2ccccc21)Nc1ccc2c(c1)OC(F)(F)O2.
What is the InChIKey of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is MCRBTBJVDPICFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2N2O5/c17-16(18)24-12-6-5-9(7-13(12)25-16)19-14(21)8-20-10-3-1-2-4-11(10)23-15(20)22/h1-7H,8H2,(H,19,21).
What are the key properties of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 348.26 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 2114683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).