N-(2-acetylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide

C13H13NO4 — CID 51072460

IUPACN-(2-acetylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCC(=O)c1ccccc1NC(=O)C1=COCCO1
InChIInChI=1S/C13H13NO4/c1-9(15)10-4-2-3-5-11(10)14-13(16)12-8-17-6-7-18-12/h2-5,8H,6-7H2,1H3,(H,14,16)
InChIKeySXMATYZULDIZET-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.72
Rot. Bonds3

About N-(2-acetylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide

N-(2-acetylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 51072460) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is N-(2-acetylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID51072460
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC NameN-(2-acetylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCC(=O)c1ccccc1NC(=O)C1=COCCO1
InChIInChI=1S/C13H13NO4/c1-9(15)10-4-2-3-5-11(10)14-13(16)12-8-17-6-7-18-12/h2-5,8H,6-7H2,1H3,(H,14,16)
InChIKeySXMATYZULDIZET-UHFFFAOYSA-N
XLogP1.72
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,3-dihydro-1,4-dioxine-5-carbonylamino)pyridine-2-carboxylic acid
CID 104739890
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 18081378
N-(2,5-difluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 18170505
N-(3-fluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 26086552
3-bromo-2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)benzoic acid
CID 63113038
N-(2-chloro-4,5-dimethoxyphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 18139939
N-(2-chloro-4-fluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 16552873
N-(2-bromo-5-fluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 103753527
[2-oxo-2-[2-[[(1R)-1-phenylethyl]carbamoyl]anilino]ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 7395568
N-(2-methyl-4-sulfamoylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 61131286
5-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-2,3-dimethylbenzoic acid
CID 63020360
2-[(2-acetylbenzoyl)amino]benzoic acid
CID 71162267

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-(2-acetylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 51072460) is N-(2-acetylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-(2-acetylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-(2-acetylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is CC(=O)c1ccccc1NC(=O)C1=COCCO1.
What is the InChIKey of N-(2-acetylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is SXMATYZULDIZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c1-9(15)10-4-2-3-5-11(10)14-13(16)12-8-17-6-7-18-12/h2-5,8H,6-7H2,1H3,(H,14,16).
What are the key properties of N-(2-acetylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-(2-acetylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 247.25 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 51072460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).