[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate

C17H16Cl2N2O5 — CID 2112324

IUPAC[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
SMILESCCOc1ccccc1OCC(=O)OCC(=O)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C17H16Cl2N2O5/c1-2-24-13-5-3-4-6-14(13)25-10-16(23)26-9-15(22)21-17-12(19)7-11(18)8-20-17/h3-8H,2,9-10H2,1H3,(H,20,21,22)
InChIKeyUCGLBLKLLVGVPB-UHFFFAOYSA-N
MW399.23 g/mol
LogP3.35
Rot. Bonds8

About [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate

[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate (PubChem CID 2112324) has the molecular formula C17H16Cl2N2O5 and a molecular weight of 399.23 g/mol. Its IUPAC name is [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate.

Molecular Properties

Compound Name[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
PubChem CID2112324
Molecular FormulaC17H16Cl2N2O5
Molecular Weight399.23 g/mol
Exact Mass398.04
IUPAC Name[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
SMILESCCOc1ccccc1OCC(=O)OCC(=O)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C17H16Cl2N2O5/c1-2-24-13-5-3-4-6-14(13)25-10-16(23)26-9-15(22)21-17-12(19)7-11(18)8-20-17/h3-8H,2,9-10H2,1H3,(H,20,21,22)
InChIKeyUCGLBLKLLVGVPB-UHFFFAOYSA-N
XLogP3.35
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.23
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate?
The IUPAC name of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate (CID 2112324) is [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate.
What is the SMILES notation for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate?
The canonical SMILES for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate is CCOc1ccccc1OCC(=O)OCC(=O)Nc1ncc(Cl)cc1Cl.
What is the InChIKey of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate?
The InChIKey is UCGLBLKLLVGVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O5/c1-2-24-13-5-3-4-6-14(13)25-10-16(23)26-9-15(22)21-17-12(19)7-11(18)8-20-17/h3-8H,2,9-10H2,1H3,(H,20,21,22).
What are the key properties of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate?
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate has a molecular weight of 399.23 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate is sourced from PubChem (CID 2112324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).