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

C16H19FN2O3 — CID 86266717

IUPAC2-(2-fluorophenoxy)-N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]acetamide
SMILESCn1cccc1C(O)CCNC(=O)COc1ccccc1F
InChIInChI=1S/C16H19FN2O3/c1-19-10-4-6-13(19)14(20)8-9-18-16(21)11-22-15-7-3-2-5-12(15)17/h2-7,10,14,20H,8-9,11H2,1H3,(H,18,21)
InChIKeyAYGJLLJFFGYEOF-UHFFFAOYSA-N
MW306.34 g/mol
LogP1.78
Rot. Bonds7

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

2-(2-fluorophenoxy)-N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]acetamide (PubChem CID 86266717) has the molecular formula C16H19FN2O3 and a molecular weight of 306.34 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]acetamide
PubChem CID86266717
Molecular FormulaC16H19FN2O3
Molecular Weight306.34 g/mol
Exact Mass306.14
IUPAC Name2-(2-fluorophenoxy)-N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]acetamide
SMILESCn1cccc1C(O)CCNC(=O)COc1ccccc1F
InChIInChI=1S/C16H19FN2O3/c1-19-10-4-6-13(19)14(20)8-9-18-16(21)11-22-15-7-3-2-5-12(15)17/h2-7,10,14,20H,8-9,11H2,1H3,(H,18,21)
InChIKeyAYGJLLJFFGYEOF-UHFFFAOYSA-N
XLogP1.78
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluorophenoxy)-N-(3-hydroxy-3-thiophen-2-ylpropyl)acetamide
CID 71787814
2-(2-fluorophenoxy)-N-(3-pyrrol-1-ylpropyl)acetamide
CID 90500606
2-(2-fluorophenoxy)-N-[2-(1-methylpyrrol-3-yl)ethyl]acetamide
CID 110789233
N'-[(4-fluorophenyl)methyl]-N-[(3S)-3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]oxamide
CID 99997989
N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]-3-phenylsulfanylpropanamide
CID 86266724
N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpyrrol-2-yl)ethyl]-2-(2-fluorophenoxy)acetamide
CID 29341074
2-(2-fluorophenoxy)-N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]acetamide
CID 97414037
N-[(3R)-3-hydroxy-3-phenylpropyl]-2-(2-methylphenoxy)acetamide
CID 96568300
2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7700300
3-[[2-(2-fluorophenoxy)acetyl]amino]propyl-dimethylazanium
CID 2330207
N-[2-(2-fluorophenoxy)ethyl]-2-(2-methylphenoxy)acetamide
CID 18113601
2-(2-ethoxyphenoxy)-N-[2-(2-fluorophenoxy)ethyl]acetamide
CID 8961012

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]acetamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]acetamide (CID 86266717) is 2-(2-fluorophenoxy)-N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]acetamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]acetamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]acetamide is Cn1cccc1C(O)CCNC(=O)COc1ccccc1F.
What is the InChIKey of 2-(2-fluorophenoxy)-N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]acetamide?
The InChIKey is AYGJLLJFFGYEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O3/c1-19-10-4-6-13(19)14(20)8-9-18-16(21)11-22-15-7-3-2-5-12(15)17/h2-7,10,14,20H,8-9,11H2,1H3,(H,18,21).
What are the key properties of 2-(2-fluorophenoxy)-N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]acetamide?
2-(2-fluorophenoxy)-N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]acetamide has a molecular weight of 306.34 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]acetamide is sourced from PubChem (CID 86266717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).