1-(3,5-dichloro-4-pyridinyl)-2-[methyl(3,3,3-trifluoropropyl)amino]ethanone

C11H11Cl2F3N2O — CID 144911048

IUPAC1-(3,5-dichloro-4-pyridinyl)-2-[methyl(3,3,3-trifluoropropyl)amino]ethanone
SMILESCN(CCC(F)(F)F)CC(=O)c1c(Cl)cncc1Cl
InChIInChI=1S/C11H11Cl2F3N2O/c1-18(3-2-11(14,15)16)6-9(19)10-7(12)4-17-5-8(10)13/h4-5H,2-3,6H2,1H3
InChIKeyWJJAHHMKODUFFZ-UHFFFAOYSA-N
MW315.12 g/mol
LogP3.46
Rot. Bonds5

About 1-(3,5-dichloro-4-pyridinyl)-2-[methyl(3,3,3-trifluoropropyl)amino]ethanone

1-(3,5-dichloro-4-pyridinyl)-2-[methyl(3,3,3-trifluoropropyl)amino]ethanone (PubChem CID 144911048) has the molecular formula C11H11Cl2F3N2O and a molecular weight of 315.12 g/mol. Its IUPAC name is 1-(3,5-dichloro-4-pyridinyl)-2-[methyl(3,3,3-trifluoropropyl)amino]ethanone.

Molecular Properties

Compound Name1-(3,5-dichloro-4-pyridinyl)-2-[methyl(3,3,3-trifluoropropyl)amino]ethanone
PubChem CID144911048
Molecular FormulaC11H11Cl2F3N2O
Molecular Weight315.12 g/mol
Exact Mass314.02
IUPAC Name1-(3,5-dichloro-4-pyridinyl)-2-[methyl(3,3,3-trifluoropropyl)amino]ethanone
SMILESCN(CCC(F)(F)F)CC(=O)c1c(Cl)cncc1Cl
InChIInChI=1S/C11H11Cl2F3N2O/c1-18(3-2-11(14,15)16)6-9(19)10-7(12)4-17-5-8(10)13/h4-5H,2-3,6H2,1H3
InChIKeyWJJAHHMKODUFFZ-UHFFFAOYSA-N
XLogP3.46
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.12
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3,5-dichloro-4-pyridinyl)-2-[methyl(3,3,3-trifluoropropyl)amino]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-4-pyridinyl)-2-[methyl(3,3,3-trifluoropropyl)amino]ethanone?
The IUPAC name of 1-(3,5-dichloro-4-pyridinyl)-2-[methyl(3,3,3-trifluoropropyl)amino]ethanone (CID 144911048) is 1-(3,5-dichloro-4-pyridinyl)-2-[methyl(3,3,3-trifluoropropyl)amino]ethanone.
What is the SMILES notation for 1-(3,5-dichloro-4-pyridinyl)-2-[methyl(3,3,3-trifluoropropyl)amino]ethanone?
The canonical SMILES for 1-(3,5-dichloro-4-pyridinyl)-2-[methyl(3,3,3-trifluoropropyl)amino]ethanone is CN(CCC(F)(F)F)CC(=O)c1c(Cl)cncc1Cl.
What is the InChIKey of 1-(3,5-dichloro-4-pyridinyl)-2-[methyl(3,3,3-trifluoropropyl)amino]ethanone?
The InChIKey is WJJAHHMKODUFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2F3N2O/c1-18(3-2-11(14,15)16)6-9(19)10-7(12)4-17-5-8(10)13/h4-5H,2-3,6H2,1H3.
What are the key properties of 1-(3,5-dichloro-4-pyridinyl)-2-[methyl(3,3,3-trifluoropropyl)amino]ethanone?
1-(3,5-dichloro-4-pyridinyl)-2-[methyl(3,3,3-trifluoropropyl)amino]ethanone has a molecular weight of 315.12 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-4-pyridinyl)-2-[methyl(3,3,3-trifluoropropyl)amino]ethanone is sourced from PubChem (CID 144911048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).