2-(2-fluorophenyl)-N-(1-hydroxy-3-methoxypropan-2-yl)acetamide

C12H16FNO3 — CID 114079004

IUPAC2-(2-fluorophenyl)-N-(1-hydroxy-3-methoxypropan-2-yl)acetamide
SMILESCOCC(CO)NC(=O)Cc1ccccc1F
InChIInChI=1S/C12H16FNO3/c1-17-8-10(7-15)14-12(16)6-9-4-2-3-5-11(9)13/h2-5,10,15H,6-8H2,1H3,(H,14,16)
InChIKeyZQHBIUTWQRGNBA-UHFFFAOYSA-N
MW241.26 g/mol
LogP0.49
Rot. Bonds6

About 2-(2-fluorophenyl)-N-(1-hydroxy-3-methoxypropan-2-yl)acetamide

2-(2-fluorophenyl)-N-(1-hydroxy-3-methoxypropan-2-yl)acetamide (PubChem CID 114079004) has the molecular formula C12H16FNO3 and a molecular weight of 241.26 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-(1-hydroxy-3-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-(1-hydroxy-3-methoxypropan-2-yl)acetamide
PubChem CID114079004
Molecular FormulaC12H16FNO3
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Name2-(2-fluorophenyl)-N-(1-hydroxy-3-methoxypropan-2-yl)acetamide
SMILESCOCC(CO)NC(=O)Cc1ccccc1F
InChIInChI=1S/C12H16FNO3/c1-17-8-10(7-15)14-12(16)6-9-4-2-3-5-11(9)13/h2-5,10,15H,6-8H2,1H3,(H,14,16)
InChIKeyZQHBIUTWQRGNBA-UHFFFAOYSA-N
XLogP0.49
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide
CID 103799437
N-(4-amino-1-methoxybutan-2-yl)-2-(2-fluorophenyl)acetamide
CID 106152498
(2R)-2-[[2-(2-fluorophenyl)acetyl]amino]propanoic acid
CID 30120740
2-(2-fluorophenyl)-N-(3-methylbutan-2-yl)acetamide
CID 78799919
2-(3-fluorophenoxy)-N-(1-hydroxy-3-methoxypropan-2-yl)acetamide
CID 114078973
3,4-difluoro-N-(1-hydroxy-3-methoxypropan-2-yl)benzamide
CID 114078926
N-[(2R)-butan-2-yl]-2-(2-fluorophenyl)acetamide
CID 94102090
2-[[2-(2-fluorophenyl)acetyl]amino]-4-hydroxybutanoic acid
CID 61244543
3-(2-fluorophenyl)-N-(1-methoxypropan-2-yl)propanamide
CID 51072977
(2S)-2-[[2-(2-fluorophenyl)acetyl]amino]-4-methoxy-4-oxobutanoic acid
CID 63303756
N-(4-aminobutan-2-yl)-2-(2-fluorophenyl)acetamide
CID 62093310
2-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-3-phenylpropanamide
CID 114155862

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-(1-hydroxy-3-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-(2-fluorophenyl)-N-(1-hydroxy-3-methoxypropan-2-yl)acetamide (CID 114079004) is 2-(2-fluorophenyl)-N-(1-hydroxy-3-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-(1-hydroxy-3-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-(1-hydroxy-3-methoxypropan-2-yl)acetamide is COCC(CO)NC(=O)Cc1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-N-(1-hydroxy-3-methoxypropan-2-yl)acetamide?
The InChIKey is ZQHBIUTWQRGNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3/c1-17-8-10(7-15)14-12(16)6-9-4-2-3-5-11(9)13/h2-5,10,15H,6-8H2,1H3,(H,14,16).
What are the key properties of 2-(2-fluorophenyl)-N-(1-hydroxy-3-methoxypropan-2-yl)acetamide?
2-(2-fluorophenyl)-N-(1-hydroxy-3-methoxypropan-2-yl)acetamide has a molecular weight of 241.26 g/mol, XLogP of 0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-(1-hydroxy-3-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 114079004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).