2-phenoxy-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide

C19H19F3N2O2 — CID 1395233

IUPAC2-phenoxy-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
SMILESO=C(COc1ccccc1)Nc1cc(C(F)(F)F)ccc1N1CCCC1
InChIInChI=1S/C19H19F3N2O2/c20-19(21,22)14-8-9-17(24-10-4-5-11-24)16(12-14)23-18(25)13-26-15-6-2-1-3-7-15/h1-3,6-9,12H,4-5,10-11,13H2,(H,23,25)
InChIKeyHDYNBBDIGZPARS-UHFFFAOYSA-N
MW364.37 g/mol
LogP4.32
Rot. Bonds5

About 2-phenoxy-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide

2-phenoxy-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 1395233) has the molecular formula C19H19F3N2O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is 2-phenoxy-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-phenoxy-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
PubChem CID1395233
Molecular FormulaC19H19F3N2O2
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC Name2-phenoxy-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
SMILESO=C(COc1ccccc1)Nc1cc(C(F)(F)F)ccc1N1CCCC1
InChIInChI=1S/C19H19F3N2O2/c20-19(21,22)14-8-9-17(24-10-4-5-11-24)16(12-14)23-18(25)13-26-15-6-2-1-3-7-15/h1-3,6-9,12H,4-5,10-11,13H2,(H,23,25)
InChIKeyHDYNBBDIGZPARS-UHFFFAOYSA-N
XLogP4.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-phenoxy-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide (CID 1395233) is 2-phenoxy-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-phenoxy-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-phenoxy-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide is O=C(COc1ccccc1)Nc1cc(C(F)(F)F)ccc1N1CCCC1.
What is the InChIKey of 2-phenoxy-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is HDYNBBDIGZPARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O2/c20-19(21,22)14-8-9-17(24-10-4-5-11-24)16(12-14)23-18(25)13-26-15-6-2-1-3-7-15/h1-3,6-9,12H,4-5,10-11,13H2,(H,23,25).
What are the key properties of 2-phenoxy-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide?
2-phenoxy-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 364.37 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 1395233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).