2-(2-chloro-5-methylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

C17H16ClNO4 — CID 2971003

IUPAC2-(2-chloro-5-methylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESCc1ccc(Cl)c(OCC(=O)Nc2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C17H16ClNO4/c1-11-2-4-13(18)15(8-11)23-10-17(20)19-12-3-5-14-16(9-12)22-7-6-21-14/h2-5,8-9H,6-7,10H2,1H3,(H,19,20)
InChIKeyWBBCNDWPAZTOEG-UHFFFAOYSA-N
MW333.77 g/mol
LogP3.44
Rot. Bonds4

About 2-(2-chloro-5-methylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

2-(2-chloro-5-methylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (PubChem CID 2971003) has the molecular formula C17H16ClNO4 and a molecular weight of 333.77 g/mol. Its IUPAC name is 2-(2-chloro-5-methylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-5-methylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
PubChem CID2971003
Molecular FormulaC17H16ClNO4
Molecular Weight333.77 g/mol
Exact Mass333.08
IUPAC Name2-(2-chloro-5-methylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESCc1ccc(Cl)c(OCC(=O)Nc2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C17H16ClNO4/c1-11-2-4-13(18)15(8-11)23-10-17(20)19-12-3-5-14-16(9-12)22-7-6-21-14/h2-5,8-9H,6-7,10H2,1H3,(H,19,20)
InChIKeyWBBCNDWPAZTOEG-UHFFFAOYSA-N
XLogP3.44
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.77
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The IUPAC name of 2-(2-chloro-5-methylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (CID 2971003) is 2-(2-chloro-5-methylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.
What is the SMILES notation for 2-(2-chloro-5-methylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The canonical SMILES for 2-(2-chloro-5-methylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is Cc1ccc(Cl)c(OCC(=O)Nc2ccc3c(c2)OCCO3)c1.
What is the InChIKey of 2-(2-chloro-5-methylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The InChIKey is WBBCNDWPAZTOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO4/c1-11-2-4-13(18)15(8-11)23-10-17(20)19-12-3-5-14-16(9-12)22-7-6-21-14/h2-5,8-9H,6-7,10H2,1H3,(H,19,20).
What are the key properties of 2-(2-chloro-5-methylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
2-(2-chloro-5-methylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide has a molecular weight of 333.77 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is sourced from PubChem (CID 2971003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).