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

C15H10ClF3N2O3 — CID 2642130

IUPAC[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] benzoate
SMILESO=C(COC(=O)c1ccccc1)Nc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C15H10ClF3N2O3/c16-11-6-10(15(17,18)19)7-20-13(11)21-12(22)8-24-14(23)9-4-2-1-3-5-9/h1-7H,8H2,(H,20,21,22)
InChIKeyWTOMYIPNGXFFJP-UHFFFAOYSA-N
MW358.70 g/mol
LogP3.55
Rot. Bonds4

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

[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] benzoate (PubChem CID 2642130) has the molecular formula C15H10ClF3N2O3 and a molecular weight of 358.70 g/mol. Its IUPAC name is [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] benzoate.

Molecular Properties

Compound Name[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] benzoate
PubChem CID2642130
Molecular FormulaC15H10ClF3N2O3
Molecular Weight358.70 g/mol
Exact Mass358.03
IUPAC Name[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] benzoate
SMILESO=C(COC(=O)c1ccccc1)Nc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C15H10ClF3N2O3/c16-11-6-10(15(17,18)19)7-20-13(11)21-12(22)8-24-14(23)9-4-2-1-3-5-9/h1-7H,8H2,(H,20,21,22)
InChIKeyWTOMYIPNGXFFJP-UHFFFAOYSA-N
XLogP3.55
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.70
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] benzoate?
The IUPAC name of [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] benzoate (CID 2642130) is [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] benzoate.
What is the SMILES notation for [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] benzoate?
The canonical SMILES for [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] benzoate is O=C(COC(=O)c1ccccc1)Nc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] benzoate?
The InChIKey is WTOMYIPNGXFFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N2O3/c16-11-6-10(15(17,18)19)7-20-13(11)21-12(22)8-24-14(23)9-4-2-1-3-5-9/h1-7H,8H2,(H,20,21,22).
What are the key properties of [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] benzoate?
[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] benzoate has a molecular weight of 358.70 g/mol, XLogP of 3.55, 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] benzoate is sourced from PubChem (CID 2642130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).