N-(7-benzoyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

C17H15NO4 — CID 787512

IUPACN-(7-benzoyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESCC(=O)Nc1cc2c(cc1C(=O)c1ccccc1)OCCO2
InChIInChI=1S/C17H15NO4/c1-11(19)18-14-10-16-15(21-7-8-22-16)9-13(14)17(20)12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H,18,19)
InChIKeyJKZWUEPATKKPQE-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.65
Rot. Bonds3

About N-(7-benzoyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

N-(7-benzoyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (PubChem CID 787512) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is N-(7-benzoyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.

Molecular Properties

Compound NameN-(7-benzoyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
PubChem CID787512
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC NameN-(7-benzoyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESCC(=O)Nc1cc2c(cc1C(=O)c1ccccc1)OCCO2
InChIInChI=1S/C17H15NO4/c1-11(19)18-14-10-16-15(21-7-8-22-16)9-13(14)17(20)12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H,18,19)
InChIKeyJKZWUEPATKKPQE-UHFFFAOYSA-N
XLogP2.65
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(7-benzoyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(7-benzoyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The IUPAC name of N-(7-benzoyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (CID 787512) is N-(7-benzoyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.
What is the SMILES notation for N-(7-benzoyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The canonical SMILES for N-(7-benzoyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is CC(=O)Nc1cc2c(cc1C(=O)c1ccccc1)OCCO2.
What is the InChIKey of N-(7-benzoyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The InChIKey is JKZWUEPATKKPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c1-11(19)18-14-10-16-15(21-7-8-22-16)9-13(14)17(20)12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H,18,19).
What are the key properties of N-(7-benzoyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
N-(7-benzoyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide has a molecular weight of 297.31 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-benzoyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is sourced from PubChem (CID 787512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).