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

C17H16N2O4 — CID 975870

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-acetamido-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C17H16N2O4/c1-11(20)18-13-4-2-12(3-5-13)17(21)19-14-6-7-15-16(10-14)23-9-8-22-15/h2-7,10H,8-9H2,1H3,(H,18,20)(H,19,21)
InChIKeyGHDYKZGZQSTMOA-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.67
Rot. Bonds3

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

4-acetamido-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide (PubChem CID 975870) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is 4-acetamido-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide.

Molecular Properties

Compound Name4-acetamido-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
PubChem CID975870
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Name4-acetamido-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C17H16N2O4/c1-11(20)18-13-4-2-12(3-5-13)17(21)19-14-6-7-15-16(10-14)23-9-8-22-15/h2-7,10H,8-9H2,1H3,(H,18,20)(H,19,21)
InChIKeyGHDYKZGZQSTMOA-UHFFFAOYSA-N
XLogP2.67
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide?
The IUPAC name of 4-acetamido-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide (CID 975870) is 4-acetamido-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide.
What is the SMILES notation for 4-acetamido-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide?
The canonical SMILES for 4-acetamido-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide is CC(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1.
What is the InChIKey of 4-acetamido-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide?
The InChIKey is GHDYKZGZQSTMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-11(20)18-13-4-2-12(3-5-13)17(21)19-14-6-7-15-16(10-14)23-9-8-22-15/h2-7,10H,8-9H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 4-acetamido-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide?
4-acetamido-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide has a molecular weight of 312.33 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide is sourced from PubChem (CID 975870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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