N-(3-acetylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C17H15NO4 — CID 2788379

IUPACN-(3-acetylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)C2COc3ccccc3O2)c1
InChIInChI=1S/C17H15NO4/c1-11(19)12-5-4-6-13(9-12)18-17(20)16-10-21-14-7-2-3-8-15(14)22-16/h2-9,16H,10H2,1H3,(H,18,20)
InChIKeyFQPAQXUCQSQPHL-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.67
Rot. Bonds3

About N-(3-acetylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

N-(3-acetylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 2788379) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID2788379
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC NameN-(3-acetylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)C2COc3ccccc3O2)c1
InChIInChI=1S/C17H15NO4/c1-11(19)12-5-4-6-13(9-12)18-17(20)16-10-21-14-7-2-3-8-15(14)22-16/h2-9,16H,10H2,1H3,(H,18,20)
InChIKeyFQPAQXUCQSQPHL-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 2788379) is N-(3-acetylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is CC(=O)c1cccc(NC(=O)C2COc3ccccc3O2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is FQPAQXUCQSQPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c1-11(19)12-5-4-6-13(9-12)18-17(20)16-10-21-14-7-2-3-8-15(14)22-16/h2-9,16H,10H2,1H3,(H,18,20).
What are the key properties of N-(3-acetylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
N-(3-acetylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 297.31 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 2788379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).