[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate

C18H16ClNO6 — CID 4858716

IUPAC[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
SMILESO=C(COC(=O)COc1ccc(Cl)cc1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C18H16ClNO6/c19-12-1-4-14(5-2-12)25-11-18(22)26-10-17(21)20-13-3-6-15-16(9-13)24-8-7-23-15/h1-6,9H,7-8,10-11H2,(H,20,21)
InChIKeyJHGBDFYVCCIMTH-UHFFFAOYSA-N
MW377.78 g/mol
LogP2.67
Rot. Bonds6

About [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate

[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate (PubChem CID 4858716) has the molecular formula C18H16ClNO6 and a molecular weight of 377.78 g/mol. Its IUPAC name is [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate.

Molecular Properties

Compound Name[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
PubChem CID4858716
Molecular FormulaC18H16ClNO6
Molecular Weight377.78 g/mol
Exact Mass377.07
IUPAC Name[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
SMILESO=C(COC(=O)COc1ccc(Cl)cc1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C18H16ClNO6/c19-12-1-4-14(5-2-12)25-11-18(22)26-10-17(21)20-13-3-6-15-16(9-13)24-8-7-23-15/h1-6,9H,7-8,10-11H2,(H,20,21)
InChIKeyJHGBDFYVCCIMTH-UHFFFAOYSA-N
XLogP2.67
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.78
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate?
The IUPAC name of [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate (CID 4858716) is [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate.
What is the SMILES notation for [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate?
The canonical SMILES for [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate is O=C(COC(=O)COc1ccc(Cl)cc1)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate?
The InChIKey is JHGBDFYVCCIMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO6/c19-12-1-4-14(5-2-12)25-11-18(22)26-10-17(21)20-13-3-6-15-16(9-13)24-8-7-23-15/h1-6,9H,7-8,10-11H2,(H,20,21).
What are the key properties of [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate?
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate has a molecular weight of 377.78 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate is sourced from PubChem (CID 4858716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).