2-(2-fluoro-4-propan-2-ylphenoxy)-N-propan-2-ylacetamide

C14H20FNO2 — CID 167446728

IUPAC2-(2-fluoro-4-propan-2-ylphenoxy)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)COc1ccc(C(C)C)cc1F
InChIInChI=1S/C14H20FNO2/c1-9(2)11-5-6-13(12(15)7-11)18-8-14(17)16-10(3)4/h5-7,9-10H,8H2,1-4H3,(H,16,17)
InChIKeyIOQKWUDRUZRDFY-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.85
Rot. Bonds5

About 2-(2-fluoro-4-propan-2-ylphenoxy)-N-propan-2-ylacetamide

2-(2-fluoro-4-propan-2-ylphenoxy)-N-propan-2-ylacetamide (PubChem CID 167446728) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-(2-fluoro-4-propan-2-ylphenoxy)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(2-fluoro-4-propan-2-ylphenoxy)-N-propan-2-ylacetamide
PubChem CID167446728
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name2-(2-fluoro-4-propan-2-ylphenoxy)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)COc1ccc(C(C)C)cc1F
InChIInChI=1S/C14H20FNO2/c1-9(2)11-5-6-13(12(15)7-11)18-8-14(17)16-10(3)4/h5-7,9-10H,8H2,1-4H3,(H,16,17)
InChIKeyIOQKWUDRUZRDFY-UHFFFAOYSA-N
XLogP2.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-4-propan-2-ylphenoxy)-N-propan-2-ylacetamide
CID 19202796
2-(2-methyl-5-propan-2-ylphenoxy)-N-propan-2-ylacetamide
CID 78906214
2-[2-fluoro-4-(methylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 107686749
2-[4-(2-aminoethyl)-2-fluorophenoxy]-N-propan-2-ylacetamide
CID 107692678
2-[2-fluoro-4-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 107687356
ethane;1-(2-fluoro-4-propan-2-ylphenoxy)-2-methylpropan-2-ol
CID 142399478
2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylacetamide
CID 965257
N-[(2S)-1-aminopropan-2-yl]-2-(2,4-difluorophenoxy)acetamide;hydrochloride
CID 120507855
2-(2-ethoxyphenoxy)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
CID 46828544
2-(2-ethoxyphenoxy)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
CID 9051491
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 18118290
2-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]-N-prop-2-enylacetamide
CID 113389648

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-propan-2-ylphenoxy)-N-propan-2-ylacetamide?
The IUPAC name of 2-(2-fluoro-4-propan-2-ylphenoxy)-N-propan-2-ylacetamide (CID 167446728) is 2-(2-fluoro-4-propan-2-ylphenoxy)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(2-fluoro-4-propan-2-ylphenoxy)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(2-fluoro-4-propan-2-ylphenoxy)-N-propan-2-ylacetamide is CC(C)NC(=O)COc1ccc(C(C)C)cc1F.
What is the InChIKey of 2-(2-fluoro-4-propan-2-ylphenoxy)-N-propan-2-ylacetamide?
The InChIKey is IOQKWUDRUZRDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-9(2)11-5-6-13(12(15)7-11)18-8-14(17)16-10(3)4/h5-7,9-10H,8H2,1-4H3,(H,16,17).
What are the key properties of 2-(2-fluoro-4-propan-2-ylphenoxy)-N-propan-2-ylacetamide?
2-(2-fluoro-4-propan-2-ylphenoxy)-N-propan-2-ylacetamide has a molecular weight of 253.32 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-propan-2-ylphenoxy)-N-propan-2-ylacetamide is sourced from PubChem (CID 167446728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).