2-(2-fluorophenoxy)-N-[2-(1-methylpyrrol-3-yl)ethyl]acetamide

C15H17FN2O2 — CID 110789233

IUPAC2-(2-fluorophenoxy)-N-[2-(1-methylpyrrol-3-yl)ethyl]acetamide
SMILESCn1ccc(CCNC(=O)COc2ccccc2F)c1
InChIInChI=1S/C15H17FN2O2/c1-18-9-7-12(10-18)6-8-17-15(19)11-20-14-5-3-2-4-13(14)16/h2-5,7,9-10H,6,8,11H2,1H3,(H,17,19)
InChIKeyLIICDNUQEOXMRZ-UHFFFAOYSA-N
MW276.31 g/mol
LogP1.90
Rot. Bonds6

About 2-(2-fluorophenoxy)-N-[2-(1-methylpyrrol-3-yl)ethyl]acetamide

2-(2-fluorophenoxy)-N-[2-(1-methylpyrrol-3-yl)ethyl]acetamide (PubChem CID 110789233) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-[2-(1-methylpyrrol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-[2-(1-methylpyrrol-3-yl)ethyl]acetamide
PubChem CID110789233
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name2-(2-fluorophenoxy)-N-[2-(1-methylpyrrol-3-yl)ethyl]acetamide
SMILESCn1ccc(CCNC(=O)COc2ccccc2F)c1
InChIInChI=1S/C15H17FN2O2/c1-18-9-7-12(10-18)6-8-17-15(19)11-20-14-5-3-2-4-13(14)16/h2-5,7,9-10H,6,8,11H2,1H3,(H,17,19)
InChIKeyLIICDNUQEOXMRZ-UHFFFAOYSA-N
XLogP1.90
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7700300
2-(4-chlorophenoxy)-N-[2-(1-methylpyrrol-3-yl)ethyl]acetamide
CID 110789180
N-[2-(3,4-difluorophenyl)ethyl]-2-(2-fluorophenoxy)acetamide
CID 110788270
methyl 4-[2-[[2-(2-fluorophenoxy)acetyl]amino]ethyl]benzoate
CID 36775654
2-(2-fluorophenoxy)-N-(3-pyrrol-1-ylpropyl)acetamide
CID 90500606
2-(2-fluorophenoxy)-N-[2-(3-hydroxyphenyl)ethyl]acetamide
CID 51098959
N-[2-(2-fluorophenoxy)ethyl]-2-(2-methylphenoxy)acetamide
CID 18113601
[2-oxo-2-(2-phenylethylamino)ethyl] 2-(2-fluorophenoxy)acetate
CID 7842405
2-(2-fluorophenoxy)-N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]acetamide
CID 86266717
2-(2-fluorophenoxy)-N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]acetamide
CID 110788587
3-[[2-(2-fluorophenoxy)acetyl]amino]propyl-dimethylazanium
CID 2330207
2-(2-ethoxyphenoxy)-N-[2-(2-fluorophenoxy)ethyl]acetamide
CID 8961012

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-[2-(1-methylpyrrol-3-yl)ethyl]acetamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-[2-(1-methylpyrrol-3-yl)ethyl]acetamide (CID 110789233) is 2-(2-fluorophenoxy)-N-[2-(1-methylpyrrol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-[2-(1-methylpyrrol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-[2-(1-methylpyrrol-3-yl)ethyl]acetamide is Cn1ccc(CCNC(=O)COc2ccccc2F)c1.
What is the InChIKey of 2-(2-fluorophenoxy)-N-[2-(1-methylpyrrol-3-yl)ethyl]acetamide?
The InChIKey is LIICDNUQEOXMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-18-9-7-12(10-18)6-8-17-15(19)11-20-14-5-3-2-4-13(14)16/h2-5,7,9-10H,6,8,11H2,1H3,(H,17,19).
What are the key properties of 2-(2-fluorophenoxy)-N-[2-(1-methylpyrrol-3-yl)ethyl]acetamide?
2-(2-fluorophenoxy)-N-[2-(1-methylpyrrol-3-yl)ethyl]acetamide has a molecular weight of 276.31 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-[2-(1-methylpyrrol-3-yl)ethyl]acetamide is sourced from PubChem (CID 110789233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).