[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate

C16H14Cl2N2O4 — CID 4802693

IUPAC[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
SMILESCc1cc(Cl)ccc1OCC(=O)OCC(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C16H14Cl2N2O4/c1-10-6-11(17)2-4-13(10)23-9-16(22)24-8-15(21)20-14-5-3-12(18)7-19-14/h2-7H,8-9H2,1H3,(H,19,20,21)
InChIKeyNCFPUEUOIAQMCG-UHFFFAOYSA-N
MW369.20 g/mol
LogP3.26
Rot. Bonds6

About [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate

[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate (PubChem CID 4802693) has the molecular formula C16H14Cl2N2O4 and a molecular weight of 369.20 g/mol. Its IUPAC name is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate.

Molecular Properties

Compound Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
PubChem CID4802693
Molecular FormulaC16H14Cl2N2O4
Molecular Weight369.20 g/mol
Exact Mass368.03
IUPAC Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
SMILESCc1cc(Cl)ccc1OCC(=O)OCC(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C16H14Cl2N2O4/c1-10-6-11(17)2-4-13(10)23-9-16(22)24-8-15(21)20-14-5-3-12(18)7-19-14/h2-7H,8-9H2,1H3,(H,19,20,21)
InChIKeyNCFPUEUOIAQMCG-UHFFFAOYSA-N
XLogP3.26
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.20
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate?
The IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate (CID 4802693) is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate.
What is the SMILES notation for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate?
The canonical SMILES for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate is Cc1cc(Cl)ccc1OCC(=O)OCC(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate?
The InChIKey is NCFPUEUOIAQMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O4/c1-10-6-11(17)2-4-13(10)23-9-16(22)24-8-15(21)20-14-5-3-12(18)7-19-14/h2-7H,8-9H2,1H3,(H,19,20,21).
What are the key properties of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate?
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate has a molecular weight of 369.20 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate is sourced from PubChem (CID 4802693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).