N-(2-acetamido-4,5-difluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

C17H14F2N2O4 — CID 47093191

IUPACN-(2-acetamido-4,5-difluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCC(=O)Nc1cc(F)c(F)cc1NC(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H14F2N2O4/c1-9(22)20-13-7-11(18)12(19)8-14(13)21-17(23)10-2-3-15-16(6-10)25-5-4-24-15/h2-3,6-8H,4-5H2,1H3,(H,20,22)(H,21,23)
InChIKeyIAGIGWGTZGFRKH-UHFFFAOYSA-N
MW348.31 g/mol
LogP2.95
Rot. Bonds3

About N-(2-acetamido-4,5-difluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

N-(2-acetamido-4,5-difluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 47093191) has the molecular formula C17H14F2N2O4 and a molecular weight of 348.31 g/mol. Its IUPAC name is N-(2-acetamido-4,5-difluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

Compound NameN-(2-acetamido-4,5-difluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID47093191
Molecular FormulaC17H14F2N2O4
Molecular Weight348.31 g/mol
Exact Mass348.09
IUPAC NameN-(2-acetamido-4,5-difluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCC(=O)Nc1cc(F)c(F)cc1NC(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H14F2N2O4/c1-9(22)20-13-7-11(18)12(19)8-14(13)21-17(23)10-2-3-15-16(6-10)25-5-4-24-15/h2-3,6-8H,4-5H2,1H3,(H,20,22)(H,21,23)
InChIKeyIAGIGWGTZGFRKH-UHFFFAOYSA-N
XLogP2.95
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.31
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluoro-4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 17396941
N-(2-chloro-4-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 26364276
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3,4-difluorobenzamide
CID 39820893
N-(4-chloro-2-iodophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 103766761
N'-(3-fluoro-4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 51275429
2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)benzoic acid
CID 6490722
N-[4-iodo-2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 2977921
N-(5-acetamido-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 166209984
N'-(3,5-difluorobenzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 51275269
N-(2-acetamido-4,5-difluorophenyl)-3,5-difluorobenzamide
CID 51106132
N-(5-amino-2-fluorophenyl)-1,3-benzodioxole-5-carboxamide
CID 16771364
3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluorobenzamide
CID 110764768

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamido-4,5-difluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of N-(2-acetamido-4,5-difluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 47093191) is N-(2-acetamido-4,5-difluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for N-(2-acetamido-4,5-difluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for N-(2-acetamido-4,5-difluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is CC(=O)Nc1cc(F)c(F)cc1NC(=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2-acetamido-4,5-difluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is IAGIGWGTZGFRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O4/c1-9(22)20-13-7-11(18)12(19)8-14(13)21-17(23)10-2-3-15-16(6-10)25-5-4-24-15/h2-3,6-8H,4-5H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-(2-acetamido-4,5-difluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
N-(2-acetamido-4,5-difluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 348.31 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamido-4,5-difluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 47093191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).