1-[2-(2,3-dichloroanilino)ethyl]pyridin-2-one

C13H12Cl2N2O — CID 82897843

IUPAC1-[2-(2,3-dichloroanilino)ethyl]pyridin-2-one
SMILESO=c1ccccn1CCNc1cccc(Cl)c1Cl
InChIInChI=1S/C13H12Cl2N2O/c14-10-4-3-5-11(13(10)15)16-7-9-17-8-2-1-6-12(17)18/h1-6,8,16H,7,9H2
InChIKeyGABMLASZOVVDFG-UHFFFAOYSA-N
MW283.16 g/mol
LogP3.27
Rot. Bonds4

About 1-[2-(2,3-dichloroanilino)ethyl]pyridin-2-one

1-[2-(2,3-dichloroanilino)ethyl]pyridin-2-one (PubChem CID 82897843) has the molecular formula C13H12Cl2N2O and a molecular weight of 283.16 g/mol. Its IUPAC name is 1-[2-(2,3-dichloroanilino)ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(2,3-dichloroanilino)ethyl]pyridin-2-one
PubChem CID82897843
Molecular FormulaC13H12Cl2N2O
Molecular Weight283.16 g/mol
Exact Mass282.03
IUPAC Name1-[2-(2,3-dichloroanilino)ethyl]pyridin-2-one
SMILESO=c1ccccn1CCNc1cccc(Cl)c1Cl
InChIInChI=1S/C13H12Cl2N2O/c14-10-4-3-5-11(13(10)15)16-7-9-17-8-2-1-6-12(17)18/h1-6,8,16H,7,9H2
InChIKeyGABMLASZOVVDFG-UHFFFAOYSA-N
XLogP3.27
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dichloroanilino)ethyl]pyridin-2-one?
The IUPAC name of 1-[2-(2,3-dichloroanilino)ethyl]pyridin-2-one (CID 82897843) is 1-[2-(2,3-dichloroanilino)ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-(2,3-dichloroanilino)ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-(2,3-dichloroanilino)ethyl]pyridin-2-one is O=c1ccccn1CCNc1cccc(Cl)c1Cl.
What is the InChIKey of 1-[2-(2,3-dichloroanilino)ethyl]pyridin-2-one?
The InChIKey is GABMLASZOVVDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O/c14-10-4-3-5-11(13(10)15)16-7-9-17-8-2-1-6-12(17)18/h1-6,8,16H,7,9H2.
What are the key properties of 1-[2-(2,3-dichloroanilino)ethyl]pyridin-2-one?
1-[2-(2,3-dichloroanilino)ethyl]pyridin-2-one has a molecular weight of 283.16 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dichloroanilino)ethyl]pyridin-2-one is sourced from PubChem (CID 82897843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).