2-(2-fluoro-4-formylphenoxy)-N-pentan-2-ylpropanamide

C15H20FNO3 — CID 103850004

IUPAC2-(2-fluoro-4-formylphenoxy)-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)Oc1ccc(C=O)cc1F
InChIInChI=1S/C15H20FNO3/c1-4-5-10(2)17-15(19)11(3)20-14-7-6-12(9-18)8-13(14)16/h6-11H,4-5H2,1-3H3,(H,17,19)
InChIKeyHTWFTUFCKXCLDG-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.71
Rot. Bonds7

About 2-(2-fluoro-4-formylphenoxy)-N-pentan-2-ylpropanamide

2-(2-fluoro-4-formylphenoxy)-N-pentan-2-ylpropanamide (PubChem CID 103850004) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 2-(2-fluoro-4-formylphenoxy)-N-pentan-2-ylpropanamide.

Molecular Properties

Compound Name2-(2-fluoro-4-formylphenoxy)-N-pentan-2-ylpropanamide
PubChem CID103850004
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name2-(2-fluoro-4-formylphenoxy)-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)Oc1ccc(C=O)cc1F
InChIInChI=1S/C15H20FNO3/c1-4-5-10(2)17-15(19)11(3)20-14-7-6-12(9-18)8-13(14)16/h6-11H,4-5H2,1-3H3,(H,17,19)
InChIKeyHTWFTUFCKXCLDG-UHFFFAOYSA-N
XLogP2.71
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(4-cyano-2-fluorophenoxy)-N-pentan-2-ylpropanamide
CID 103792142
2-(3-formylphenoxy)-N-pentan-2-ylpropanamide
CID 43112275
(2R)-2-(2-fluoro-4-formylphenoxy)propanoic acid
CID 107685172
2-(2-bromo-4-formylphenoxy)-N-butan-2-ylpropanamide
CID 60718458
N-cyclopentyl-2-(2-fluoro-4-formylphenoxy)propanamide
CID 107689480
2-(2-bromo-4-fluorophenoxy)-N-pentan-2-ylpropanamide
CID 43112360
N-cyclohexyl-2-(2-fluoro-4-formylphenoxy)propanamide
CID 107689513
(2S)-2-(2,4-dichlorophenoxy)-N-[(2S)-pentan-2-yl]propanamide
CID 2169643
N-butan-2-yl-2-[4-(ethylaminomethyl)-2-fluorophenoxy]propanamide
CID 107686802
4-fluoro-2-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]oxybenzoic acid
CID 107014203
2-[3-fluoro-4-[(1S)-1-hydroxyethyl]phenoxy]-N-pentan-2-ylpropanamide
CID 107720399
(2R)-2-(2-ethylphenoxy)-N-[(2S)-pentan-2-yl]propanamide
CID 92684665

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-formylphenoxy)-N-pentan-2-ylpropanamide?
The IUPAC name of 2-(2-fluoro-4-formylphenoxy)-N-pentan-2-ylpropanamide (CID 103850004) is 2-(2-fluoro-4-formylphenoxy)-N-pentan-2-ylpropanamide.
What is the SMILES notation for 2-(2-fluoro-4-formylphenoxy)-N-pentan-2-ylpropanamide?
The canonical SMILES for 2-(2-fluoro-4-formylphenoxy)-N-pentan-2-ylpropanamide is CCCC(C)NC(=O)C(C)Oc1ccc(C=O)cc1F.
What is the InChIKey of 2-(2-fluoro-4-formylphenoxy)-N-pentan-2-ylpropanamide?
The InChIKey is HTWFTUFCKXCLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-4-5-10(2)17-15(19)11(3)20-14-7-6-12(9-18)8-13(14)16/h6-11H,4-5H2,1-3H3,(H,17,19).
What are the key properties of 2-(2-fluoro-4-formylphenoxy)-N-pentan-2-ylpropanamide?
2-(2-fluoro-4-formylphenoxy)-N-pentan-2-ylpropanamide has a molecular weight of 281.33 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-formylphenoxy)-N-pentan-2-ylpropanamide is sourced from PubChem (CID 103850004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).