[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-phenoxyacetate

C15H13ClN2O4 — CID 2129011

IUPAC[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-phenoxyacetate
SMILESO=C(COC(=O)COc1ccccc1)Nc1ccc(Cl)cn1
InChIInChI=1S/C15H13ClN2O4/c16-11-6-7-13(17-8-11)18-14(19)9-22-15(20)10-21-12-4-2-1-3-5-12/h1-8H,9-10H2,(H,17,18,19)
InChIKeyWJKRWIQCPQNGAP-UHFFFAOYSA-N
MW320.73 g/mol
LogP2.30
Rot. Bonds6

About [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-phenoxyacetate

[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-phenoxyacetate (PubChem CID 2129011) has the molecular formula C15H13ClN2O4 and a molecular weight of 320.73 g/mol. Its IUPAC name is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-phenoxyacetate.

Molecular Properties

Compound Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-phenoxyacetate
PubChem CID2129011
Molecular FormulaC15H13ClN2O4
Molecular Weight320.73 g/mol
Exact Mass320.06
IUPAC Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-phenoxyacetate
SMILESO=C(COC(=O)COc1ccccc1)Nc1ccc(Cl)cn1
InChIInChI=1S/C15H13ClN2O4/c16-11-6-7-13(17-8-11)18-14(19)9-22-15(20)10-21-12-4-2-1-3-5-12/h1-8H,9-10H2,(H,17,18,19)
InChIKeyWJKRWIQCPQNGAP-UHFFFAOYSA-N
XLogP2.30
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.73
LogP ≤ 52.30
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-phenoxyacetate?
The IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-phenoxyacetate (CID 2129011) is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-phenoxyacetate.
What is the SMILES notation for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-phenoxyacetate?
The canonical SMILES for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-phenoxyacetate is O=C(COC(=O)COc1ccccc1)Nc1ccc(Cl)cn1.
What is the InChIKey of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-phenoxyacetate?
The InChIKey is WJKRWIQCPQNGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O4/c16-11-6-7-13(17-8-11)18-14(19)9-22-15(20)10-21-12-4-2-1-3-5-12/h1-8H,9-10H2,(H,17,18,19).
What are the key properties of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-phenoxyacetate?
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-phenoxyacetate has a molecular weight of 320.73 g/mol, XLogP of 2.30, 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-phenoxyacetate is sourced from PubChem (CID 2129011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).