N-[3-(2-acetamidoethyl)-1-benzofuran-5-yl]-2,2,2-trifluoroacetamide

C14H13F3N2O3 — CID 18175057

IUPACN-[3-(2-acetamidoethyl)-1-benzofuran-5-yl]-2,2,2-trifluoroacetamide
SMILESCC(=O)NCCc1coc2ccc(NC(=O)C(F)(F)F)cc12
InChIInChI=1S/C14H13F3N2O3/c1-8(20)18-5-4-9-7-22-12-3-2-10(6-11(9)12)19-13(21)14(15,16)17/h2-3,6-7H,4-5H2,1H3,(H,18,20)(H,19,21)
InChIKeySUSDQVARBLWNKJ-UHFFFAOYSA-N
MW314.26 g/mol
LogP2.61
Rot. Bonds4

About N-[3-(2-acetamidoethyl)-1-benzofuran-5-yl]-2,2,2-trifluoroacetamide

N-[3-(2-acetamidoethyl)-1-benzofuran-5-yl]-2,2,2-trifluoroacetamide (PubChem CID 18175057) has the molecular formula C14H13F3N2O3 and a molecular weight of 314.26 g/mol. Its IUPAC name is N-[3-(2-acetamidoethyl)-1-benzofuran-5-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[3-(2-acetamidoethyl)-1-benzofuran-5-yl]-2,2,2-trifluoroacetamide
PubChem CID18175057
Molecular FormulaC14H13F3N2O3
Molecular Weight314.26 g/mol
Exact Mass314.09
IUPAC NameN-[3-(2-acetamidoethyl)-1-benzofuran-5-yl]-2,2,2-trifluoroacetamide
SMILESCC(=O)NCCc1coc2ccc(NC(=O)C(F)(F)F)cc12
InChIInChI=1S/C14H13F3N2O3/c1-8(20)18-5-4-9-7-22-12-3-2-10(6-11(9)12)19-13(21)14(15,16)17/h2-3,6-7H,4-5H2,1H3,(H,18,20)(H,19,21)
InChIKeySUSDQVARBLWNKJ-UHFFFAOYSA-N
XLogP2.61
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-acetamidoethyl)-1-benzofuran-5-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[3-(2-acetamidoethyl)-1-benzofuran-5-yl]-2,2,2-trifluoroacetamide (CID 18175057) is N-[3-(2-acetamidoethyl)-1-benzofuran-5-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[3-(2-acetamidoethyl)-1-benzofuran-5-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[3-(2-acetamidoethyl)-1-benzofuran-5-yl]-2,2,2-trifluoroacetamide is CC(=O)NCCc1coc2ccc(NC(=O)C(F)(F)F)cc12.
What is the InChIKey of N-[3-(2-acetamidoethyl)-1-benzofuran-5-yl]-2,2,2-trifluoroacetamide?
The InChIKey is SUSDQVARBLWNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O3/c1-8(20)18-5-4-9-7-22-12-3-2-10(6-11(9)12)19-13(21)14(15,16)17/h2-3,6-7H,4-5H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-[3-(2-acetamidoethyl)-1-benzofuran-5-yl]-2,2,2-trifluoroacetamide?
N-[3-(2-acetamidoethyl)-1-benzofuran-5-yl]-2,2,2-trifluoroacetamide has a molecular weight of 314.26 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-acetamidoethyl)-1-benzofuran-5-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 18175057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).