1-[2-(4-chloroanilino)ethyl]-6-(trifluoromethyl)pyridin-2-one

C14H12ClF3N2O — CID 81310742

IUPAC1-[2-(4-chloroanilino)ethyl]-6-(trifluoromethyl)pyridin-2-one
SMILESO=c1cccc(C(F)(F)F)n1CCNc1ccc(Cl)cc1
InChIInChI=1S/C14H12ClF3N2O/c15-10-4-6-11(7-5-10)19-8-9-20-12(14(16,17)18)2-1-3-13(20)21/h1-7,19H,8-9H2
InChIKeyXNEHMXMTVXZSSL-UHFFFAOYSA-N
MW316.71 g/mol
LogP3.63
Rot. Bonds4

About 1-[2-(4-chloroanilino)ethyl]-6-(trifluoromethyl)pyridin-2-one

1-[2-(4-chloroanilino)ethyl]-6-(trifluoromethyl)pyridin-2-one (PubChem CID 81310742) has the molecular formula C14H12ClF3N2O and a molecular weight of 316.71 g/mol. Its IUPAC name is 1-[2-(4-chloroanilino)ethyl]-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[2-(4-chloroanilino)ethyl]-6-(trifluoromethyl)pyridin-2-one
PubChem CID81310742
Molecular FormulaC14H12ClF3N2O
Molecular Weight316.71 g/mol
Exact Mass316.06
IUPAC Name1-[2-(4-chloroanilino)ethyl]-6-(trifluoromethyl)pyridin-2-one
SMILESO=c1cccc(C(F)(F)F)n1CCNc1ccc(Cl)cc1
InChIInChI=1S/C14H12ClF3N2O/c15-10-4-6-11(7-5-10)19-8-9-20-12(14(16,17)18)2-1-3-13(20)21/h1-7,19H,8-9H2
InChIKeyXNEHMXMTVXZSSL-UHFFFAOYSA-N
XLogP3.63
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.71
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chloroanilino)ethyl]-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[2-(4-chloroanilino)ethyl]-6-(trifluoromethyl)pyridin-2-one (CID 81310742) is 1-[2-(4-chloroanilino)ethyl]-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[2-(4-chloroanilino)ethyl]-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[2-(4-chloroanilino)ethyl]-6-(trifluoromethyl)pyridin-2-one is O=c1cccc(C(F)(F)F)n1CCNc1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chloroanilino)ethyl]-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is XNEHMXMTVXZSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N2O/c15-10-4-6-11(7-5-10)19-8-9-20-12(14(16,17)18)2-1-3-13(20)21/h1-7,19H,8-9H2.
What are the key properties of 1-[2-(4-chloroanilino)ethyl]-6-(trifluoromethyl)pyridin-2-one?
1-[2-(4-chloroanilino)ethyl]-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 316.71 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chloroanilino)ethyl]-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 81310742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).