2-ethoxy-N-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]acetamide

C17H21FN2O2 — CID 71784680

IUPAC2-ethoxy-N-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]acetamide
SMILESCCOCC(=O)NCC(Cc1cccc(F)c1)n1cccc1
InChIInChI=1S/C17H21FN2O2/c1-2-22-13-17(21)19-12-16(20-8-3-4-9-20)11-14-6-5-7-15(18)10-14/h3-10,16H,2,11-13H2,1H3,(H,19,21)
InChIKeyCSFDEUHMAMYVNO-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.56
Rot. Bonds8

About 2-ethoxy-N-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]acetamide

2-ethoxy-N-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]acetamide (PubChem CID 71784680) has the molecular formula C17H21FN2O2 and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-ethoxy-N-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]acetamide.

Molecular Properties

Compound Name2-ethoxy-N-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]acetamide
PubChem CID71784680
Molecular FormulaC17H21FN2O2
Molecular Weight304.37 g/mol
Exact Mass304.16
IUPAC Name2-ethoxy-N-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]acetamide
SMILESCCOCC(=O)NCC(Cc1cccc(F)c1)n1cccc1
InChIInChI=1S/C17H21FN2O2/c1-2-22-13-17(21)19-12-16(20-8-3-4-9-20)11-14-6-5-7-15(18)10-14/h3-10,16H,2,11-13H2,1H3,(H,19,21)
InChIKeyCSFDEUHMAMYVNO-UHFFFAOYSA-N
XLogP2.56
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]acetamide?
The IUPAC name of 2-ethoxy-N-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]acetamide (CID 71784680) is 2-ethoxy-N-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]acetamide.
What is the SMILES notation for 2-ethoxy-N-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]acetamide?
The canonical SMILES for 2-ethoxy-N-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]acetamide is CCOCC(=O)NCC(Cc1cccc(F)c1)n1cccc1.
What is the InChIKey of 2-ethoxy-N-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]acetamide?
The InChIKey is CSFDEUHMAMYVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O2/c1-2-22-13-17(21)19-12-16(20-8-3-4-9-20)11-14-6-5-7-15(18)10-14/h3-10,16H,2,11-13H2,1H3,(H,19,21).
What are the key properties of 2-ethoxy-N-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]acetamide?
2-ethoxy-N-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]acetamide has a molecular weight of 304.37 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]acetamide is sourced from PubChem (CID 71784680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).