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

C13H18FNO2 — CID 79255031

IUPAC2-(3-fluorophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
SMILESCC(C)C(CO)NC(=O)Cc1cccc(F)c1
InChIInChI=1S/C13H18FNO2/c1-9(2)12(8-16)15-13(17)7-10-4-3-5-11(14)6-10/h3-6,9,12,16H,7-8H2,1-2H3,(H,15,17)
InChIKeyRFNZXWPNIMGXGO-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.50
Rot. Bonds5

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

2-(3-fluorophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide (PubChem CID 79255031) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
PubChem CID79255031
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name2-(3-fluorophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
SMILESCC(C)C(CO)NC(=O)Cc1cccc(F)c1
InChIInChI=1S/C13H18FNO2/c1-9(2)12(8-16)15-13(17)7-10-4-3-5-11(14)6-10/h3-6,9,12,16H,7-8H2,1-2H3,(H,15,17)
InChIKeyRFNZXWPNIMGXGO-UHFFFAOYSA-N
XLogP1.50
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluorophenyl)-N-(1-hydroxypropan-2-yl)acetamide
CID 43419046
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(3-methylphenyl)acetamide
CID 79253237
2-(3-fluorophenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79252060
2-(3-fluorophenyl)-N-[(2S)-pentan-2-yl]acetamide
CID 92647594
N-(4-bromobutan-2-yl)-2-(3-fluorophenyl)acetamide
CID 83180361
N-[1-(3-chlorophenyl)ethyl]-2-(3-fluorophenyl)acetamide
CID 42905870
N-(4-amino-4-sulfanylidenebutan-2-yl)-2-(3-fluorophenyl)acetamide
CID 62092603
N-(1,1-diphenylpropan-2-yl)-2-(3-fluorophenyl)acetamide
CID 46436394
N-(1-cyanopropyl)-2-(3-fluorophenyl)acetamide
CID 61119665
1-(3-fluorophenyl)-3-hydroxy-4-methylpentan-2-one
CID 103455309
2-(4-aminophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79248650
N-(1-hydroxy-3-methylbutan-2-yl)-2-naphthalen-1-ylacetamide
CID 79252551

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(3-fluorophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide (CID 79255031) is 2-(3-fluorophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide is CC(C)C(CO)NC(=O)Cc1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide?
The InChIKey is RFNZXWPNIMGXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-9(2)12(8-16)15-13(17)7-10-4-3-5-11(14)6-10/h3-6,9,12,16H,7-8H2,1-2H3,(H,15,17).
What are the key properties of 2-(3-fluorophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide?
2-(3-fluorophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide has a molecular weight of 239.29 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 79255031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).