[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate

C16H14Cl2N2O4 — CID 8021075

IUPAC[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
SMILESCc1cc(Cl)ccc1OCC(=O)OCC(=O)Nc1cccnc1Cl
InChIInChI=1S/C16H14Cl2N2O4/c1-10-7-11(17)4-5-13(10)23-9-15(22)24-8-14(21)20-12-3-2-6-19-16(12)18/h2-7H,8-9H2,1H3,(H,20,21)
InChIKeyKDVDDOPIZCNHMO-UHFFFAOYSA-N
MW369.20 g/mol
LogP3.26
Rot. Bonds6

About [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate

[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate (PubChem CID 8021075) has the molecular formula C16H14Cl2N2O4 and a molecular weight of 369.20 g/mol. Its IUPAC name is [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate.

Molecular Properties

Compound Name[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
PubChem CID8021075
Molecular FormulaC16H14Cl2N2O4
Molecular Weight369.20 g/mol
Exact Mass368.03
IUPAC Name[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
SMILESCc1cc(Cl)ccc1OCC(=O)OCC(=O)Nc1cccnc1Cl
InChIInChI=1S/C16H14Cl2N2O4/c1-10-7-11(17)4-5-13(10)23-9-15(22)24-8-14(21)20-12-3-2-6-19-16(12)18/h2-7H,8-9H2,1H3,(H,20,21)
InChIKeyKDVDDOPIZCNHMO-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate?
The IUPAC name of [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate (CID 8021075) is [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate.
What is the SMILES notation for [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate?
The canonical SMILES for [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate is Cc1cc(Cl)ccc1OCC(=O)OCC(=O)Nc1cccnc1Cl.
What is the InChIKey of [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate?
The InChIKey is KDVDDOPIZCNHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O4/c1-10-7-11(17)4-5-13(10)23-9-15(22)24-8-14(21)20-12-3-2-6-19-16(12)18/h2-7H,8-9H2,1H3,(H,20,21).
What are the key properties of [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate?
[2-[(2-chloro-3-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-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate is sourced from PubChem (CID 8021075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).