2-(2-fluorophenoxy)-N-(2-hydroxy-4-methylpentyl)propanamide

C15H22FNO3 — CID 103771605

IUPAC2-(2-fluorophenoxy)-N-(2-hydroxy-4-methylpentyl)propanamide
SMILESCC(C)CC(O)CNC(=O)C(C)Oc1ccccc1F
InChIInChI=1S/C15H22FNO3/c1-10(2)8-12(18)9-17-15(19)11(3)20-14-7-5-4-6-13(14)16/h4-7,10-12,18H,8-9H2,1-3H3,(H,17,19)
InChIKeyFPUOEGJZOWUGFE-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.12
Rot. Bonds7

About 2-(2-fluorophenoxy)-N-(2-hydroxy-4-methylpentyl)propanamide

2-(2-fluorophenoxy)-N-(2-hydroxy-4-methylpentyl)propanamide (PubChem CID 103771605) has the molecular formula C15H22FNO3 and a molecular weight of 283.34 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-(2-hydroxy-4-methylpentyl)propanamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-(2-hydroxy-4-methylpentyl)propanamide
PubChem CID103771605
Molecular FormulaC15H22FNO3
Molecular Weight283.34 g/mol
Exact Mass283.16
IUPAC Name2-(2-fluorophenoxy)-N-(2-hydroxy-4-methylpentyl)propanamide
SMILESCC(C)CC(O)CNC(=O)C(C)Oc1ccccc1F
InChIInChI=1S/C15H22FNO3/c1-10(2)8-12(18)9-17-15(19)11(3)20-14-7-5-4-6-13(14)16/h4-7,10-12,18H,8-9H2,1-3H3,(H,17,19)
InChIKeyFPUOEGJZOWUGFE-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-(2-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride
CID 120830406
4-[2-(2-fluorophenoxy)propanoylamino]-2-hydroxybutanoic acid
CID 107832248
2-(2-fluorophenoxy)-N-(5-hydroxypentyl)propanamide
CID 107318363
(2S)-2-amino-N-[2-(2-fluorophenoxy)propyl]-4-methylpentanamide;hydrochloride
CID 119804898
2-[2-(aminomethyl)-3-fluorophenoxy]-N-(2-methylpropyl)propanamide
CID 43609241
2-[2-[(1S)-1-hydroxyethyl]phenoxy]-N-(2-methylpropyl)propanamide
CID 78931758
5-[2-(2-fluorophenoxy)propanoylamino]-2-methylpentanoic acid
CID 104682391
2-(2-fluorophenoxy)-N-[(3-methyloxetan-3-yl)methyl]propanamide
CID 78956697
(2R)-2-(2-fluorophenoxy)-N-[(4-methoxyphenyl)methyl]propanamide
CID 7892059
(2S)-N-carbamoyl-2-(2-fluorophenoxy)propanamide
CID 7815239
2-(2-fluorophenoxy)-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106385142
4-[2-(2-fluorophenoxy)propanoylamino]-3-hydroxy-3-methylbutanoic acid
CID 66003733

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-(2-hydroxy-4-methylpentyl)propanamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-(2-hydroxy-4-methylpentyl)propanamide (CID 103771605) is 2-(2-fluorophenoxy)-N-(2-hydroxy-4-methylpentyl)propanamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-(2-hydroxy-4-methylpentyl)propanamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-(2-hydroxy-4-methylpentyl)propanamide is CC(C)CC(O)CNC(=O)C(C)Oc1ccccc1F.
What is the InChIKey of 2-(2-fluorophenoxy)-N-(2-hydroxy-4-methylpentyl)propanamide?
The InChIKey is FPUOEGJZOWUGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO3/c1-10(2)8-12(18)9-17-15(19)11(3)20-14-7-5-4-6-13(14)16/h4-7,10-12,18H,8-9H2,1-3H3,(H,17,19).
What are the key properties of 2-(2-fluorophenoxy)-N-(2-hydroxy-4-methylpentyl)propanamide?
2-(2-fluorophenoxy)-N-(2-hydroxy-4-methylpentyl)propanamide 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-(2-hydroxy-4-methylpentyl)propanamide is sourced from PubChem (CID 103771605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).