2-(2-fluorophenoxy)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide

C15H20FNO4 — CID 79037138

IUPAC2-(2-fluorophenoxy)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide
SMILESCC(Oc1ccccc1F)C(=O)NCC1(O)CCOCC1
InChIInChI=1S/C15H20FNO4/c1-11(21-13-5-3-2-4-12(13)16)14(18)17-10-15(19)6-8-20-9-7-15/h2-5,11,19H,6-10H2,1H3,(H,17,18)
InChIKeyUEMVPYIMNWFRJG-UHFFFAOYSA-N
MW297.33 g/mol
LogP1.25
Rot. Bonds5

About 2-(2-fluorophenoxy)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide

2-(2-fluorophenoxy)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide (PubChem CID 79037138) has the molecular formula C15H20FNO4 and a molecular weight of 297.33 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide
PubChem CID79037138
Molecular FormulaC15H20FNO4
Molecular Weight297.33 g/mol
Exact Mass297.14
IUPAC Name2-(2-fluorophenoxy)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide
SMILESCC(Oc1ccccc1F)C(=O)NCC1(O)CCOCC1
InChIInChI=1S/C15H20FNO4/c1-11(21-13-5-3-2-4-12(13)16)14(18)17-10-15(19)6-8-20-9-7-15/h2-5,11,19H,6-10H2,1H3,(H,17,18)
InChIKeyUEMVPYIMNWFRJG-UHFFFAOYSA-N
XLogP1.25
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluorophenoxy)-N-[(3-methyloxetan-3-yl)methyl]propanamide
CID 78956697
1-[[2-(2-fluorophenoxy)propanoylamino]methyl]cyclohexane-1-carboxylic acid
CID 120545014
2-(2-fluorophenoxy)-N-(5-hydroxypentyl)propanamide
CID 107318363
2-(2-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride
CID 120830406
(2S)-N-carbamoyl-2-(2-fluorophenoxy)propanamide
CID 7815239
(2S)-2-(2-methoxyphenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
CID 34948785
2-(2-fluorophenoxy)-N-(2-hydroxy-4-methylpentyl)propanamide
CID 103771605
1-(2,3-difluorophenyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 110936339
4-[2-(2-fluorophenoxy)propanoylamino]-2-hydroxybutanoic acid
CID 107832248
(2R)-2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-2-phenylacetamide
CID 81130040
2-(2-fluorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 60627807
5-[2-(2-fluorophenoxy)propanoylamino]-2-methylpentanoic acid
CID 104682391

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide (CID 79037138) is 2-(2-fluorophenoxy)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide is CC(Oc1ccccc1F)C(=O)NCC1(O)CCOCC1.
What is the InChIKey of 2-(2-fluorophenoxy)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide?
The InChIKey is UEMVPYIMNWFRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO4/c1-11(21-13-5-3-2-4-12(13)16)14(18)17-10-15(19)6-8-20-9-7-15/h2-5,11,19H,6-10H2,1H3,(H,17,18).
What are the key properties of 2-(2-fluorophenoxy)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide?
2-(2-fluorophenoxy)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide has a molecular weight of 297.33 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide is sourced from PubChem (CID 79037138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).