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

C16H14Cl2N2O3 — CID 2381179

IUPAC[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-phenylpropanoate
SMILESO=C(COC(=O)CCc1ccccc1)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C16H14Cl2N2O3/c17-12-8-13(18)16(19-9-12)20-14(21)10-23-15(22)7-6-11-4-2-1-3-5-11/h1-5,8-9H,6-7,10H2,(H,19,20,21)
InChIKeyKKJUIANMJODTIK-UHFFFAOYSA-N
MW353.21 g/mol
LogP3.50
Rot. Bonds6

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

[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-phenylpropanoate (PubChem CID 2381179) has the molecular formula C16H14Cl2N2O3 and a molecular weight of 353.21 g/mol. Its IUPAC name is [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-phenylpropanoate.

Molecular Properties

Compound Name[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-phenylpropanoate
PubChem CID2381179
Molecular FormulaC16H14Cl2N2O3
Molecular Weight353.21 g/mol
Exact Mass352.04
IUPAC Name[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-phenylpropanoate
SMILESO=C(COC(=O)CCc1ccccc1)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C16H14Cl2N2O3/c17-12-8-13(18)16(19-9-12)20-14(21)10-23-15(22)7-6-11-4-2-1-3-5-11/h1-5,8-9H,6-7,10H2,(H,19,20,21)
InChIKeyKKJUIANMJODTIK-UHFFFAOYSA-N
XLogP3.50
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 53.50
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] 3-phenylpropanoate?
The IUPAC name of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-phenylpropanoate (CID 2381179) is [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-phenylpropanoate.
What is the SMILES notation for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-phenylpropanoate?
The canonical SMILES for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-phenylpropanoate is O=C(COC(=O)CCc1ccccc1)Nc1ncc(Cl)cc1Cl.
What is the InChIKey of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-phenylpropanoate?
The InChIKey is KKJUIANMJODTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O3/c17-12-8-13(18)16(19-9-12)20-14(21)10-23-15(22)7-6-11-4-2-1-3-5-11/h1-5,8-9H,6-7,10H2,(H,19,20,21).
What are the key properties of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-phenylpropanoate?
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-phenylpropanoate has a molecular weight of 353.21 g/mol, XLogP of 3.50, 6 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] 3-phenylpropanoate is sourced from PubChem (CID 2381179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).