[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(trifluoromethyl)benzoate

C16H17F3N2O4 — CID 2504319

IUPAC[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(trifluoromethyl)benzoate
SMILESO=C(COC(=O)c1cccc(C(F)(F)F)c1)NC(=O)NC1CCCC1
InChIInChI=1S/C16H17F3N2O4/c17-16(18,19)11-5-3-4-10(8-11)14(23)25-9-13(22)21-15(24)20-12-6-1-2-7-12/h3-5,8,12H,1-2,6-7,9H2,(H2,20,21,22,24)
InChIKeyRNKKYAIGLRMCSC-UHFFFAOYSA-N
MW358.32 g/mol
LogP2.63
Rot. Bonds4

About [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(trifluoromethyl)benzoate

[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(trifluoromethyl)benzoate (PubChem CID 2504319) has the molecular formula C16H17F3N2O4 and a molecular weight of 358.32 g/mol. Its IUPAC name is [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(trifluoromethyl)benzoate.

Molecular Properties

Compound Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(trifluoromethyl)benzoate
PubChem CID2504319
Molecular FormulaC16H17F3N2O4
Molecular Weight358.32 g/mol
Exact Mass358.11
IUPAC Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(trifluoromethyl)benzoate
SMILESO=C(COC(=O)c1cccc(C(F)(F)F)c1)NC(=O)NC1CCCC1
InChIInChI=1S/C16H17F3N2O4/c17-16(18,19)11-5-3-4-10(8-11)14(23)25-9-13(22)21-15(24)20-12-6-1-2-7-12/h3-5,8,12H,1-2,6-7,9H2,(H2,20,21,22,24)
InChIKeyRNKKYAIGLRMCSC-UHFFFAOYSA-N
XLogP2.63
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(trifluoromethyl)benzoate?
The IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(trifluoromethyl)benzoate (CID 2504319) is [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(trifluoromethyl)benzoate.
What is the SMILES notation for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(trifluoromethyl)benzoate?
The canonical SMILES for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(trifluoromethyl)benzoate is O=C(COC(=O)c1cccc(C(F)(F)F)c1)NC(=O)NC1CCCC1.
What is the InChIKey of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(trifluoromethyl)benzoate?
The InChIKey is RNKKYAIGLRMCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O4/c17-16(18,19)11-5-3-4-10(8-11)14(23)25-9-13(22)21-15(24)20-12-6-1-2-7-12/h3-5,8,12H,1-2,6-7,9H2,(H2,20,21,22,24).
What are the key properties of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(trifluoromethyl)benzoate?
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(trifluoromethyl)benzoate has a molecular weight of 358.32 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(trifluoromethyl)benzoate is sourced from PubChem (CID 2504319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).