2-(2-fluoro-6-formylphenoxy)-N-pentylpropanamide

C15H20FNO3 — CID 115955752

IUPAC2-(2-fluoro-6-formylphenoxy)-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)Oc1c(F)cccc1C=O
InChIInChI=1S/C15H20FNO3/c1-3-4-5-9-17-15(19)11(2)20-14-12(10-18)7-6-8-13(14)16/h6-8,10-11H,3-5,9H2,1-2H3,(H,17,19)
InChIKeyALSDVWKOHFALNZ-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.71
Rot. Bonds8

About 2-(2-fluoro-6-formylphenoxy)-N-pentylpropanamide

2-(2-fluoro-6-formylphenoxy)-N-pentylpropanamide (PubChem CID 115955752) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 2-(2-fluoro-6-formylphenoxy)-N-pentylpropanamide.

Molecular Properties

Compound Name2-(2-fluoro-6-formylphenoxy)-N-pentylpropanamide
PubChem CID115955752
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name2-(2-fluoro-6-formylphenoxy)-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)Oc1c(F)cccc1C=O
InChIInChI=1S/C15H20FNO3/c1-3-4-5-9-17-15(19)11(2)20-14-12(10-18)7-6-8-13(14)16/h6-8,10-11H,3-5,9H2,1-2H3,(H,17,19)
InChIKeyALSDVWKOHFALNZ-UHFFFAOYSA-N
XLogP2.71
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-fluoro-6-formylphenoxy)-N-pentan-3-ylpropanamide
CID 115955801
2-(2-fluoro-6-formylphenoxy)-N-prop-2-enylpropanamide
CID 112611593
N-carbamoyl-2-(2-fluoro-6-formylphenoxy)propanamide
CID 112611670
2-(2-formyl-6-methylphenoxy)-N-(3-methoxypropyl)propanamide
CID 115955495
2-(2-formyl-5-methoxyphenoxy)-N-pentylpropanamide
CID 61267567
2-[2-fluoro-6-(propylaminomethyl)phenoxy]-N-prop-2-enylpropanamide
CID 115953395
2-(2-bromo-6-formylphenoxy)-N-(2-methoxyethyl)propanamide
CID 61390814
2-(4-amino-2,5-difluorophenoxy)-N-pentylpropanamide
CID 63598119
3-fluoro-2-[1-(3-methoxypropylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 115956076
(2S)-N-butyl-2-(2,5-difluorophenoxy)propanamide
CID 95973725
N-hexyl-2-(3-methoxyphenoxy)propanamide
CID 19203844
2-[2-(2-aminopropyl)-6-fluorophenoxy]-N-ethylpropanamide
CID 112615920

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-6-formylphenoxy)-N-pentylpropanamide?
The IUPAC name of 2-(2-fluoro-6-formylphenoxy)-N-pentylpropanamide (CID 115955752) is 2-(2-fluoro-6-formylphenoxy)-N-pentylpropanamide.
What is the SMILES notation for 2-(2-fluoro-6-formylphenoxy)-N-pentylpropanamide?
The canonical SMILES for 2-(2-fluoro-6-formylphenoxy)-N-pentylpropanamide is CCCCCNC(=O)C(C)Oc1c(F)cccc1C=O.
What is the InChIKey of 2-(2-fluoro-6-formylphenoxy)-N-pentylpropanamide?
The InChIKey is ALSDVWKOHFALNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-3-4-5-9-17-15(19)11(2)20-14-12(10-18)7-6-8-13(14)16/h6-8,10-11H,3-5,9H2,1-2H3,(H,17,19).
What are the key properties of 2-(2-fluoro-6-formylphenoxy)-N-pentylpropanamide?
2-(2-fluoro-6-formylphenoxy)-N-pentylpropanamide has a molecular weight of 281.33 g/mol, XLogP of 2.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-6-formylphenoxy)-N-pentylpropanamide is sourced from PubChem (CID 115955752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).