N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide

C17H15NO4 — CID 2834223

IUPACN-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
SMILESCC(=O)c1cc2c(cc1NC(=O)c1ccccc1)OCCO2
InChIInChI=1S/C17H15NO4/c1-11(19)13-9-15-16(22-8-7-21-15)10-14(13)18-17(20)12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H,18,20)
InChIKeyBBCFKAVPAPCJHO-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.91
Rot. Bonds3

About N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide

N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide (PubChem CID 2834223) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide.

Molecular Properties

Compound NameN-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
PubChem CID2834223
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC NameN-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
SMILESCC(=O)c1cc2c(cc1NC(=O)c1ccccc1)OCCO2
InChIInChI=1S/C17H15NO4/c1-11(19)13-9-15-16(22-8-7-21-15)10-14(13)18-17(20)12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H,18,20)
InChIKeyBBCFKAVPAPCJHO-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-acetyl-1,3-benzodioxol-5-yl)-4-benzamidobenzamide
CID 36753669
N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-fluorobenzamide
CID 17018288
N-[7-(2-methylpropanoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide
CID 1266090
N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 110778003
N-(6-acetyl-1,3-benzodioxol-5-yl)-3-fluorobenzamide
CID 7924570
N-(6-acetyl-1,3-benzodioxol-5-yl)-2,3-dimethylquinoxaline-6-carboxamide
CID 55363635
N-(7-benzoyl-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2,2-dichlorocyclopropyl)benzamide
CID 2969858
2-[(6-acetyl-1,3-benzodioxol-5-yl)carbamoyl]benzoate
CID 6990078
4-methoxy-N-[7-(2-phenylacetyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide
CID 53338560
N-[7-(2-bromobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4-methylbenzamide
CID 3286357
N-(6-acetyl-1,3-benzodioxol-5-yl)-3,5-difluorobenzamide
CID 18076884
N-(7-benzoyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-nitrobenzamide
CID 5297900

Frequently Asked Questions

What is the IUPAC name of N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide?
The IUPAC name of N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide (CID 2834223) is N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide.
What is the SMILES notation for N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide?
The canonical SMILES for N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide is CC(=O)c1cc2c(cc1NC(=O)c1ccccc1)OCCO2.
What is the InChIKey of N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide?
The InChIKey is BBCFKAVPAPCJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c1-11(19)13-9-15-16(22-8-7-21-15)10-14(13)18-17(20)12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H,18,20).
What are the key properties of N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide?
N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide has a molecular weight of 297.31 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide is sourced from PubChem (CID 2834223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).