N-(1,3-dioxoisoindol-5-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C17H12N2O5 — CID 4641353

IUPACN-(1,3-dioxoisoindol-5-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C1NC(=O)c2cc(NC(=O)C3COc4ccccc4O3)ccc21
InChIInChI=1S/C17H12N2O5/c20-15-10-6-5-9(7-11(10)16(21)19-15)18-17(22)14-8-23-12-3-1-2-4-13(12)24-14/h1-7,14H,8H2,(H,18,22)(H,19,20,21)
InChIKeyUTADGGLIHPQPNU-UHFFFAOYSA-N
MW324.29 g/mol
LogP1.35
Rot. Bonds2

About N-(1,3-dioxoisoindol-5-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

N-(1,3-dioxoisoindol-5-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 4641353) has the molecular formula C17H12N2O5 and a molecular weight of 324.29 g/mol. Its IUPAC name is N-(1,3-dioxoisoindol-5-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-dioxoisoindol-5-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID4641353
Molecular FormulaC17H12N2O5
Molecular Weight324.29 g/mol
Exact Mass324.07
IUPAC NameN-(1,3-dioxoisoindol-5-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C1NC(=O)c2cc(NC(=O)C3COc4ccccc4O3)ccc21
InChIInChI=1S/C17H12N2O5/c20-15-10-6-5-9(7-11(10)16(21)19-15)18-17(22)14-8-23-12-3-1-2-4-13(12)24-14/h1-7,14H,8H2,(H,18,22)(H,19,20,21)
InChIKeyUTADGGLIHPQPNU-UHFFFAOYSA-N
XLogP1.35
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.29
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 2788362
N-(3-acetylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2788379
N-(4-{[(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)amino]carbonyl}phenyl)tetrahydrofuran-2-carboxamide
CID 3241701
N-[4-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]phenyl]-2-oxolanecarboxamide
CID 3245672
2-(4-bromophenoxy)-N-(1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)acetamide
CID 1231035
N-(1,3-dioxoisoindol-5-yl)-2-(4-methoxyphenoxy)acetamide
CID 894413
N-(1,3-dioxoisoindol-5-yl)-2-ethoxybenzamide
CID 976552
2-(2,6-dimethylphenoxy)-N-(1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)acetamide
CID 2934880
N-(1,3-dioxoisoindol-5-yl)-2-(4-methylphenoxy)acetamide
CID 2953797
N-(1,3-dioxoisoindol-5-yl)-2-(3-methylphenoxy)acetamide
CID 4970551
4-{[(2-Methoxyphenoxy)acetyl]amino}benzamide
CID 2364229
2,3-Dihydro-benzo[1,4]dioxine-2-carboxylic acid (4-carbamoyl-phenyl)-amide
CID 2787356

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxoisoindol-5-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of N-(1,3-dioxoisoindol-5-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 4641353) is N-(1,3-dioxoisoindol-5-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for N-(1,3-dioxoisoindol-5-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for N-(1,3-dioxoisoindol-5-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is O=C1NC(=O)c2cc(NC(=O)C3COc4ccccc4O3)ccc21.
What is the InChIKey of N-(1,3-dioxoisoindol-5-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is UTADGGLIHPQPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O5/c20-15-10-6-5-9(7-11(10)16(21)19-15)18-17(22)14-8-23-12-3-1-2-4-13(12)24-14/h1-7,14H,8H2,(H,18,22)(H,19,20,21).
What are the key properties of N-(1,3-dioxoisoindol-5-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
N-(1,3-dioxoisoindol-5-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 324.29 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxoisoindol-5-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 4641353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).