2-(4-fluorophenoxy)-N-(2-hydroxy-2,3-dimethylbutyl)-2-methylpropanamide

C16H24FNO3 — CID 111483880

IUPAC2-(4-fluorophenoxy)-N-(2-hydroxy-2,3-dimethylbutyl)-2-methylpropanamide
SMILESCC(C)C(C)(O)CNC(=O)C(C)(C)Oc1ccc(F)cc1
InChIInChI=1S/C16H24FNO3/c1-11(2)16(5,20)10-18-14(19)15(3,4)21-13-8-6-12(17)7-9-13/h6-9,11,20H,10H2,1-5H3,(H,18,19)
InChIKeyHGFVHFLWADQEQH-UHFFFAOYSA-N
MW297.37 g/mol
LogP2.51
Rot. Bonds6

About 2-(4-fluorophenoxy)-N-(2-hydroxy-2,3-dimethylbutyl)-2-methylpropanamide

2-(4-fluorophenoxy)-N-(2-hydroxy-2,3-dimethylbutyl)-2-methylpropanamide (PubChem CID 111483880) has the molecular formula C16H24FNO3 and a molecular weight of 297.37 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-(2-hydroxy-2,3-dimethylbutyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-(2-hydroxy-2,3-dimethylbutyl)-2-methylpropanamide
PubChem CID111483880
Molecular FormulaC16H24FNO3
Molecular Weight297.37 g/mol
Exact Mass297.17
IUPAC Name2-(4-fluorophenoxy)-N-(2-hydroxy-2,3-dimethylbutyl)-2-methylpropanamide
SMILESCC(C)C(C)(O)CNC(=O)C(C)(C)Oc1ccc(F)cc1
InChIInChI=1S/C16H24FNO3/c1-11(2)16(5,20)10-18-14(19)15(3,4)21-13-8-6-12(17)7-9-13/h6-9,11,20H,10H2,1-5H3,(H,18,19)
InChIKeyHGFVHFLWADQEQH-UHFFFAOYSA-N
XLogP2.51
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)-2-methylpropanamide
CID 103772311
2-(4-fluorophenoxy)-2-methylpropanehydrazide
CID 43236623
N-(2-hydroxy-2,3-dimethylbutyl)-4-[(2-methylpropan-2-yl)oxy]benzamide
CID 111859470
2-(4-fluorophenoxy)-N-[(1-hydroxycyclobutyl)methyl]-2-methylpropanamide
CID 115643394
N-(2-cyclopentyl-2-hydroxyethyl)-2-(4-fluorophenoxy)-2-methylpropanamide
CID 111426344
2-(4-chlorophenoxy)-N-[2-(4-fluorophenyl)-2-oxoethyl]-2-methylpropanamide
CID 71910218
1-(4-fluorophenyl)-N-(2-hydroxy-2,3-dimethylbutyl)cyclopropane-1-carboxamide
CID 111484002
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(4-fluorophenoxy)-2-methylpropanamide
CID 100664586
(2R)-2-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-4-hydroxybutanoic acid
CID 107822709
2-(4-fluorophenoxy)-N-[[3-(methoxymethyl)phenyl]methyl]-2-methylpropanamide
CID 86990942
2-(4-fluorophenoxy)-N-(4-fluorophenyl)sulfonyl-2-methylpropanamide
CID 87011295
[3-(4-fluorophenoxy)-3-methyl-2-oxobutyl]phosphonic acid
CID 67857363

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-(2-hydroxy-2,3-dimethylbutyl)-2-methylpropanamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-(2-hydroxy-2,3-dimethylbutyl)-2-methylpropanamide (CID 111483880) is 2-(4-fluorophenoxy)-N-(2-hydroxy-2,3-dimethylbutyl)-2-methylpropanamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-(2-hydroxy-2,3-dimethylbutyl)-2-methylpropanamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-(2-hydroxy-2,3-dimethylbutyl)-2-methylpropanamide is CC(C)C(C)(O)CNC(=O)C(C)(C)Oc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-(2-hydroxy-2,3-dimethylbutyl)-2-methylpropanamide?
The InChIKey is HGFVHFLWADQEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO3/c1-11(2)16(5,20)10-18-14(19)15(3,4)21-13-8-6-12(17)7-9-13/h6-9,11,20H,10H2,1-5H3,(H,18,19).
What are the key properties of 2-(4-fluorophenoxy)-N-(2-hydroxy-2,3-dimethylbutyl)-2-methylpropanamide?
2-(4-fluorophenoxy)-N-(2-hydroxy-2,3-dimethylbutyl)-2-methylpropanamide has a molecular weight of 297.37 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-(2-hydroxy-2,3-dimethylbutyl)-2-methylpropanamide is sourced from PubChem (CID 111483880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).