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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Related Compounds

N-(2-ethylphenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 2788365
2,3-Dihydro-N-(2-methylphenyl)-1,4-benzodioxin-2-carboxamide
CID 2788358
N-(3,4-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 2788362
N-(2,5-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 2788363
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylbenzamide
CID 769398
Acetamide, 2-(4-acetylphenoxy)-N-phenyl-
CID 204987
6-Acetyl-2H-1,4-benzoxazin-3(4H)-one
CID 3641956
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylbenzamide
CID 732529
N-(3-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 880692
N-(3-acetylphenyl)-4-oxo-4H-chromene-2-carboxamide
CID 895668
[2-(2,3-Dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 3-methoxybenzoate
CID 2122572
[2-(2-Fluoroanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 2355174

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).