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

C15H12Cl2N2O3 — CID 2381211

IUPAC[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-phenylacetate
SMILESO=C(COC(=O)Cc1ccccc1)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C15H12Cl2N2O3/c16-11-7-12(17)15(18-8-11)19-13(20)9-22-14(21)6-10-4-2-1-3-5-10/h1-5,7-8H,6,9H2,(H,18,19,20)
InChIKeyPPOLIJIFTWENCV-UHFFFAOYSA-N
MW339.18 g/mol
LogP3.11
Rot. Bonds5

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

[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-phenylacetate (PubChem CID 2381211) has the molecular formula C15H12Cl2N2O3 and a molecular weight of 339.18 g/mol. Its IUPAC name is [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-phenylacetate.

Molecular Properties

Compound Name[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-phenylacetate
PubChem CID2381211
Molecular FormulaC15H12Cl2N2O3
Molecular Weight339.18 g/mol
Exact Mass338.02
IUPAC Name[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-phenylacetate
SMILESO=C(COC(=O)Cc1ccccc1)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C15H12Cl2N2O3/c16-11-7-12(17)15(18-8-11)19-13(20)9-22-14(21)6-10-4-2-1-3-5-10/h1-5,7-8H,6,9H2,(H,18,19,20)
InChIKeyPPOLIJIFTWENCV-UHFFFAOYSA-N
XLogP3.11
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.18
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-phenylacetate?
The IUPAC name of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-phenylacetate (CID 2381211) is [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-phenylacetate.
What is the SMILES notation for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-phenylacetate?
The canonical SMILES for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-phenylacetate is O=C(COC(=O)Cc1ccccc1)Nc1ncc(Cl)cc1Cl.
What is the InChIKey of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-phenylacetate?
The InChIKey is PPOLIJIFTWENCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O3/c16-11-7-12(17)15(18-8-11)19-13(20)9-22-14(21)6-10-4-2-1-3-5-10/h1-5,7-8H,6,9H2,(H,18,19,20).
What are the key properties of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-phenylacetate?
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-phenylacetate has a molecular weight of 339.18 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-phenylacetate is sourced from PubChem (CID 2381211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).