[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 3,3-dimethylbutanoate

C14H16ClF3N2O3 — CID 2367339

IUPAC[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 3,3-dimethylbutanoate
SMILESCC(C)(C)CC(=O)OCC(=O)Nc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C14H16ClF3N2O3/c1-13(2,3)5-11(22)23-7-10(21)20-12-9(15)4-8(6-19-12)14(16,17)18/h4,6H,5,7H2,1-3H3,(H,19,20,21)
InChIKeyYQLWOIYHLMRZNP-UHFFFAOYSA-N
MW352.74 g/mol
LogP3.67
Rot. Bonds4

About [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 3,3-dimethylbutanoate

[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 3,3-dimethylbutanoate (PubChem CID 2367339) has the molecular formula C14H16ClF3N2O3 and a molecular weight of 352.74 g/mol. Its IUPAC name is [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 3,3-dimethylbutanoate.

Molecular Properties

Compound Name[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 3,3-dimethylbutanoate
PubChem CID2367339
Molecular FormulaC14H16ClF3N2O3
Molecular Weight352.74 g/mol
Exact Mass352.08
IUPAC Name[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 3,3-dimethylbutanoate
SMILESCC(C)(C)CC(=O)OCC(=O)Nc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C14H16ClF3N2O3/c1-13(2,3)5-11(22)23-7-10(21)20-12-9(15)4-8(6-19-12)14(16,17)18/h4,6H,5,7H2,1-3H3,(H,19,20,21)
InChIKeyYQLWOIYHLMRZNP-UHFFFAOYSA-N
XLogP3.67
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.74
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 3,3-dimethylbutanoate 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 [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 3,3-dimethylbutanoate?
The IUPAC name of [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 3,3-dimethylbutanoate (CID 2367339) is [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 3,3-dimethylbutanoate.
What is the SMILES notation for [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 3,3-dimethylbutanoate?
The canonical SMILES for [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 3,3-dimethylbutanoate is CC(C)(C)CC(=O)OCC(=O)Nc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 3,3-dimethylbutanoate?
The InChIKey is YQLWOIYHLMRZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF3N2O3/c1-13(2,3)5-11(22)23-7-10(21)20-12-9(15)4-8(6-19-12)14(16,17)18/h4,6H,5,7H2,1-3H3,(H,19,20,21).
What are the key properties of [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 3,3-dimethylbutanoate?
[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 3,3-dimethylbutanoate has a molecular weight of 352.74 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 3,3-dimethylbutanoate is sourced from PubChem (CID 2367339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).