2-(4-fluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylacetamide

C13H18FNO2 — CID 113476089

IUPAC2-(4-fluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylacetamide
SMILESCN(C(=O)Cc1ccc(F)cc1)C(C)(C)CO
InChIInChI=1S/C13H18FNO2/c1-13(2,9-16)15(3)12(17)8-10-4-6-11(14)7-5-10/h4-7,16H,8-9H2,1-3H3
InChIKeyCPZAHCUUWIIZKO-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.60
Rot. Bonds4

About 2-(4-fluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylacetamide

2-(4-fluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylacetamide (PubChem CID 113476089) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylacetamide
PubChem CID113476089
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name2-(4-fluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylacetamide
SMILESCN(C(=O)Cc1ccc(F)cc1)C(C)(C)CO
InChIInChI=1S/C13H18FNO2/c1-13(2,9-16)15(3)12(17)8-10-4-6-11(14)7-5-10/h4-7,16H,8-9H2,1-3H3
InChIKeyCPZAHCUUWIIZKO-UHFFFAOYSA-N
XLogP1.60
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-dimethylpropyl)-2-(4-fluorophenyl)-N-methylacetamide
CID 110669323
N-(1-aminopropan-2-yl)-2-(4-fluorophenyl)-N-methylacetamide
CID 115733563
3-methyl-3-[methyl-[2-(4-methylphenyl)acetyl]amino]butanoic acid
CID 110834679
N-(2-bromopropyl)-2-(4-fluorophenyl)-N-methylacetamide
CID 80665709
2-(2,6-dichlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylacetamide
CID 113476141
2-(4-cyanophenyl)-N-methyl-N-(2-methylbutan-2-yl)acetamide
CID 63957387
2-(4-fluorophenyl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide
CID 114243374
2-(2-bromo-5-fluorophenyl)-N-methyl-N-(2-methylbutan-2-yl)acetamide
CID 75430590
N-[(4-aminophenyl)methyl]-2-(4-fluorophenyl)-N-methylacetamide
CID 43458116
methyl 2-[[2-(4-fluorophenyl)acetyl]-methylamino]acetate
CID 43407385
N-cyclopentyl-N-ethyl-2-(4-fluorophenyl)acetamide
CID 86926966
1-(4-fluorophenyl)-3-[(2-hydroxy-2-methylpropyl)-methylamino]propan-2-one
CID 79389969

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylacetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylacetamide (CID 113476089) is 2-(4-fluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylacetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylacetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylacetamide is CN(C(=O)Cc1ccc(F)cc1)C(C)(C)CO.
What is the InChIKey of 2-(4-fluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylacetamide?
The InChIKey is CPZAHCUUWIIZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-13(2,9-16)15(3)12(17)8-10-4-6-11(14)7-5-10/h4-7,16H,8-9H2,1-3H3.
What are the key properties of 2-(4-fluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylacetamide?
2-(4-fluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylacetamide has a molecular weight of 239.29 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylacetamide is sourced from PubChem (CID 113476089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).