1-[2-[2-(trifluoromethyl)phenoxy]acetyl]pyrrolidine-3-carboxamide

C14H15F3N2O3 — CID 56813639

IUPAC1-[2-[2-(trifluoromethyl)phenoxy]acetyl]pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(C(=O)COc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C14H15F3N2O3/c15-14(16,17)10-3-1-2-4-11(10)22-8-12(20)19-6-5-9(7-19)13(18)21/h1-4,9H,5-8H2,(H2,18,21)
InChIKeyRZEDBBOZWFUYEM-UHFFFAOYSA-N
MW316.28 g/mol
LogP1.42
Rot. Bonds4

About 1-[2-[2-(trifluoromethyl)phenoxy]acetyl]pyrrolidine-3-carboxamide

1-[2-[2-(trifluoromethyl)phenoxy]acetyl]pyrrolidine-3-carboxamide (PubChem CID 56813639) has the molecular formula C14H15F3N2O3 and a molecular weight of 316.28 g/mol. Its IUPAC name is 1-[2-[2-(trifluoromethyl)phenoxy]acetyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[2-(trifluoromethyl)phenoxy]acetyl]pyrrolidine-3-carboxamide
PubChem CID56813639
Molecular FormulaC14H15F3N2O3
Molecular Weight316.28 g/mol
Exact Mass316.10
IUPAC Name1-[2-[2-(trifluoromethyl)phenoxy]acetyl]pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(C(=O)COc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C14H15F3N2O3/c15-14(16,17)10-3-1-2-4-11(10)22-8-12(20)19-6-5-9(7-19)13(18)21/h1-4,9H,5-8H2,(H2,18,21)
InChIKeyRZEDBBOZWFUYEM-UHFFFAOYSA-N
XLogP1.42
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(trifluoromethyl)phenoxy]acetyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-[2-(trifluoromethyl)phenoxy]acetyl]pyrrolidine-3-carboxamide (CID 56813639) is 1-[2-[2-(trifluoromethyl)phenoxy]acetyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-[2-(trifluoromethyl)phenoxy]acetyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-[2-(trifluoromethyl)phenoxy]acetyl]pyrrolidine-3-carboxamide is NC(=O)C1CCN(C(=O)COc2ccccc2C(F)(F)F)C1.
What is the InChIKey of 1-[2-[2-(trifluoromethyl)phenoxy]acetyl]pyrrolidine-3-carboxamide?
The InChIKey is RZEDBBOZWFUYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O3/c15-14(16,17)10-3-1-2-4-11(10)22-8-12(20)19-6-5-9(7-19)13(18)21/h1-4,9H,5-8H2,(H2,18,21).
What are the key properties of 1-[2-[2-(trifluoromethyl)phenoxy]acetyl]pyrrolidine-3-carboxamide?
1-[2-[2-(trifluoromethyl)phenoxy]acetyl]pyrrolidine-3-carboxamide has a molecular weight of 316.28 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(trifluoromethyl)phenoxy]acetyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 56813639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).