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

C15H16ClF3N2O3 — CID 2377183

IUPAC[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] cyclohexanecarboxylate
SMILESO=C(COC(=O)C1CCCCC1)Nc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C15H16ClF3N2O3/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/h6-7,9H,1-5,8H2,(H,20,21,22)
InChIKeyPRYTWESOCBQSHN-UHFFFAOYSA-N
MW364.75 g/mol
LogP3.82
Rot. Bonds4

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

[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] cyclohexanecarboxylate (PubChem CID 2377183) has the molecular formula C15H16ClF3N2O3 and a molecular weight of 364.75 g/mol. Its IUPAC name is [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] cyclohexanecarboxylate.

Molecular Properties

Compound Name[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] cyclohexanecarboxylate
PubChem CID2377183
Molecular FormulaC15H16ClF3N2O3
Molecular Weight364.75 g/mol
Exact Mass364.08
IUPAC Name[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] cyclohexanecarboxylate
SMILESO=C(COC(=O)C1CCCCC1)Nc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C15H16ClF3N2O3/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/h6-7,9H,1-5,8H2,(H,20,21,22)
InChIKeyPRYTWESOCBQSHN-UHFFFAOYSA-N
XLogP3.82
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.75
LogP ≤ 53.82
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] cyclohexanecarboxylate?
The IUPAC name of [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] cyclohexanecarboxylate (CID 2377183) is [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] cyclohexanecarboxylate.
What is the SMILES notation for [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] cyclohexanecarboxylate?
The canonical SMILES for [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] cyclohexanecarboxylate 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] cyclohexanecarboxylate?
The InChIKey is PRYTWESOCBQSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF3N2O3/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/h6-7,9H,1-5,8H2,(H,20,21,22).
What are the key properties of [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] cyclohexanecarboxylate?
[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] cyclohexanecarboxylate has a molecular weight of 364.75 g/mol, XLogP of 3.82, 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] cyclohexanecarboxylate is sourced from PubChem (CID 2377183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).