2-(2-fluorophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide

C13H18FNO3 — CID 103799437

IUPAC2-(2-fluorophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide
SMILESCOCC(CCO)NC(=O)Cc1ccccc1F
InChIInChI=1S/C13H18FNO3/c1-18-9-11(6-7-16)15-13(17)8-10-4-2-3-5-12(10)14/h2-5,11,16H,6-9H2,1H3,(H,15,17)
InChIKeySOBIKRWRFTZAIQ-UHFFFAOYSA-N
MW255.29 g/mol
LogP0.88
Rot. Bonds7

About 2-(2-fluorophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide

2-(2-fluorophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide (PubChem CID 103799437) has the molecular formula C13H18FNO3 and a molecular weight of 255.29 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide
PubChem CID103799437
Molecular FormulaC13H18FNO3
Molecular Weight255.29 g/mol
Exact Mass255.13
IUPAC Name2-(2-fluorophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide
SMILESCOCC(CCO)NC(=O)Cc1ccccc1F
InChIInChI=1S/C13H18FNO3/c1-18-9-11(6-7-16)15-13(17)8-10-4-2-3-5-12(10)14/h2-5,11,16H,6-9H2,1H3,(H,15,17)
InChIKeySOBIKRWRFTZAIQ-UHFFFAOYSA-N
XLogP0.88
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-amino-1-methoxybutan-2-yl)-2-(2-fluorophenyl)acetamide
CID 106152498
2-(2-fluorophenyl)-N-(1-hydroxy-3-methoxypropan-2-yl)acetamide
CID 114079004
N-(4-hydroxy-1-methoxybutan-2-yl)-2-(4-methylphenyl)acetamide
CID 103799183
3-(2-aminophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide
CID 106161001
2-[[2-(2-fluorophenyl)acetyl]amino]-4-hydroxybutanoic acid
CID 61244543
2-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-6-methoxybenzamide
CID 103850864
3-(4-fluorophenoxy)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide
CID 103799162
3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-3-phenylpropanamide
CID 106161030
N-(4-bromo-1-methoxybutan-2-yl)-2-(2,4-difluorophenyl)acetamide
CID 114151318
(2R)-2-[[2-(2-fluorophenyl)acetyl]amino]propanoic acid
CID 30120740
3-(4-fluorophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide
CID 103799465
N-(4-hydroxy-1-methoxybutan-2-yl)-2-(3-methoxy-4-methylphenyl)acetamide
CID 103799381

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide?
The IUPAC name of 2-(2-fluorophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide (CID 103799437) is 2-(2-fluorophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide is COCC(CCO)NC(=O)Cc1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide?
The InChIKey is SOBIKRWRFTZAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3/c1-18-9-11(6-7-16)15-13(17)8-10-4-2-3-5-12(10)14/h2-5,11,16H,6-9H2,1H3,(H,15,17).
What are the key properties of 2-(2-fluorophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide?
2-(2-fluorophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide has a molecular weight of 255.29 g/mol, XLogP of 0.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide is sourced from PubChem (CID 103799437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).