2-(2-chlorophenoxy)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide

C18H18ClNO4 — CID 4878725

IUPAC2-(2-chlorophenoxy)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide
SMILESO=C(COc1ccccc1Cl)NCCc1ccc2c(c1)OCCO2
InChIInChI=1S/C18H18ClNO4/c19-14-3-1-2-4-15(14)24-12-18(21)20-8-7-13-5-6-16-17(11-13)23-10-9-22-16/h1-6,11H,7-10,12H2,(H,20,21)
InChIKeyQGMZHCZFCNMDKB-UHFFFAOYSA-N
MW347.80 g/mol
LogP2.85
Rot. Bonds6

About 2-(2-chlorophenoxy)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide

2-(2-chlorophenoxy)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide (PubChem CID 4878725) has the molecular formula C18H18ClNO4 and a molecular weight of 347.80 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide
PubChem CID4878725
Molecular FormulaC18H18ClNO4
Molecular Weight347.80 g/mol
Exact Mass347.09
IUPAC Name2-(2-chlorophenoxy)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide
SMILESO=C(COc1ccccc1Cl)NCCc1ccc2c(c1)OCCO2
InChIInChI=1S/C18H18ClNO4/c19-14-3-1-2-4-15(14)24-12-18(21)20-8-7-13-5-6-16-17(11-13)23-10-9-22-16/h1-6,11H,7-10,12H2,(H,20,21)
InChIKeyQGMZHCZFCNMDKB-UHFFFAOYSA-N
XLogP2.85
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide (CID 4878725) is 2-(2-chlorophenoxy)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide is O=C(COc1ccccc1Cl)NCCc1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide?
The InChIKey is QGMZHCZFCNMDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO4/c19-14-3-1-2-4-15(14)24-12-18(21)20-8-7-13-5-6-16-17(11-13)23-10-9-22-16/h1-6,11H,7-10,12H2,(H,20,21).
What are the key properties of 2-(2-chlorophenoxy)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide?
2-(2-chlorophenoxy)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide has a molecular weight of 347.80 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide is sourced from PubChem (CID 4878725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).