2-(2-fluorophenoxy)-N-(4-hydroxy-2,2-dimethylpentyl)acetamide

C15H22FNO3 — CID 111480362

IUPAC2-(2-fluorophenoxy)-N-(4-hydroxy-2,2-dimethylpentyl)acetamide
SMILESCC(O)CC(C)(C)CNC(=O)COc1ccccc1F
InChIInChI=1S/C15H22FNO3/c1-11(18)8-15(2,3)10-17-14(19)9-20-13-7-5-4-6-12(13)16/h4-7,11,18H,8-10H2,1-3H3,(H,17,19)
InChIKeyQGHGAXVHHATZAE-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.12
Rot. Bonds7

About 2-(2-fluorophenoxy)-N-(4-hydroxy-2,2-dimethylpentyl)acetamide

2-(2-fluorophenoxy)-N-(4-hydroxy-2,2-dimethylpentyl)acetamide (PubChem CID 111480362) has the molecular formula C15H22FNO3 and a molecular weight of 283.34 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-(4-hydroxy-2,2-dimethylpentyl)acetamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-(4-hydroxy-2,2-dimethylpentyl)acetamide
PubChem CID111480362
Molecular FormulaC15H22FNO3
Molecular Weight283.34 g/mol
Exact Mass283.16
IUPAC Name2-(2-fluorophenoxy)-N-(4-hydroxy-2,2-dimethylpentyl)acetamide
SMILESCC(O)CC(C)(C)CNC(=O)COc1ccccc1F
InChIInChI=1S/C15H22FNO3/c1-11(18)8-15(2,3)10-17-14(19)9-20-13-7-5-4-6-12(13)16/h4-7,11,18H,8-10H2,1-3H3,(H,17,19)
InChIKeyQGHGAXVHHATZAE-UHFFFAOYSA-N
XLogP2.12
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenoxy)-N-(4-hydroxy-2,2-dimethylpentyl)acetamide
CID 111479721
2-(2-fluorophenoxy)-N-(2-hydroxy-3-methoxy-2-methylpropyl)acetamide
CID 90500952
2-(3-bromophenoxy)-N-(4-hydroxy-2,2-dimethylpentyl)acetamide
CID 111480350
2-(2-fluorophenoxy)-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)acetamide
CID 71787292
2-(2-fluorophenoxy)-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]acetamide
CID 95376483
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-fluorophenoxy)acetamide
CID 110663511
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-hydroxy-2,2-dimethylpentyl)propanamide
CID 111480516
1-[2-(2,4-difluorophenoxy)ethyl]-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111480845
N'-(2,6-difluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide
CID 111490747
N-(2-cyclopropyl-2-hydroxyethyl)-2-(2-fluorophenoxy)acetamide
CID 63299007
2-(2-fluorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 7700855
2-(2-fluorophenoxy)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 16546160

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-(4-hydroxy-2,2-dimethylpentyl)acetamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-(4-hydroxy-2,2-dimethylpentyl)acetamide (CID 111480362) is 2-(2-fluorophenoxy)-N-(4-hydroxy-2,2-dimethylpentyl)acetamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-(4-hydroxy-2,2-dimethylpentyl)acetamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-(4-hydroxy-2,2-dimethylpentyl)acetamide is CC(O)CC(C)(C)CNC(=O)COc1ccccc1F.
What is the InChIKey of 2-(2-fluorophenoxy)-N-(4-hydroxy-2,2-dimethylpentyl)acetamide?
The InChIKey is QGHGAXVHHATZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO3/c1-11(18)8-15(2,3)10-17-14(19)9-20-13-7-5-4-6-12(13)16/h4-7,11,18H,8-10H2,1-3H3,(H,17,19).
What are the key properties of 2-(2-fluorophenoxy)-N-(4-hydroxy-2,2-dimethylpentyl)acetamide?
2-(2-fluorophenoxy)-N-(4-hydroxy-2,2-dimethylpentyl)acetamide has a molecular weight of 283.34 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-(4-hydroxy-2,2-dimethylpentyl)acetamide is sourced from PubChem (CID 111480362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).