2-(3-fluorophenoxy)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide

C15H22FNO3 — CID 61246472

IUPAC2-(3-fluorophenoxy)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
SMILESCC(C)CC(CO)NC(=O)C(C)Oc1cccc(F)c1
InChIInChI=1S/C15H22FNO3/c1-10(2)7-13(9-18)17-15(19)11(3)20-14-6-4-5-12(16)8-14/h4-6,8,10-11,13,18H,7,9H2,1-3H3,(H,17,19)
InChIKeyNNZJEQFQXLYMFA-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.12
Rot. Bonds7

About 2-(3-fluorophenoxy)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide

2-(3-fluorophenoxy)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide (PubChem CID 61246472) has the molecular formula C15H22FNO3 and a molecular weight of 283.34 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
PubChem CID61246472
Molecular FormulaC15H22FNO3
Molecular Weight283.34 g/mol
Exact Mass283.16
IUPAC Name2-(3-fluorophenoxy)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
SMILESCC(C)CC(CO)NC(=O)C(C)Oc1cccc(F)c1
InChIInChI=1S/C15H22FNO3/c1-10(2)7-13(9-18)17-15(19)11(3)20-14-6-4-5-12(16)8-14/h4-6,8,10-11,13,18H,7,9H2,1-3H3,(H,17,19)
InChIKeyNNZJEQFQXLYMFA-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-(3-fluorophenoxy)-N-(1-hydroxybutan-2-yl)propanamide
CID 43417847
(2S)-2-[2-(3-fluorophenoxy)propanoylamino]-4-methylpentanoic acid
CID 61155162
2-(4-bromophenoxy)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
CID 61247071
N-(1,3-dihydroxypropan-2-yl)-2-(3-methylphenoxy)propanamide
CID 65315418
(2S)-2-(3-fluorophenoxy)-N-(2-phenoxyethyl)propanamide
CID 30865784
(2R)-4-amino-2-[2-(3-fluorophenoxy)propanoylamino]-4-oxobutanoic acid
CID 107821491
2-(3-fluorophenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)propanamide
CID 103940911
1-chloro-3-(3-fluorophenoxy)butan-2-one
CID 82040238
2-(3-fluorophenoxy)-N-(2-methoxyethyl)propanamide
CID 60675242
(2S)-N-[(1S)-2-amino-2-oxo-1-phenylethyl]-2-(3-fluorophenoxy)propanamide
CID 94047744
N-(1-amino-4-methylpentan-2-yl)-2-phenoxypropanamide
CID 119588476
N-[(2S)-1-hydroxybutan-2-yl]-2-(3-methylphenoxy)propanamide
CID 104981564

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide?
The IUPAC name of 2-(3-fluorophenoxy)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide (CID 61246472) is 2-(3-fluorophenoxy)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide.
What is the SMILES notation for 2-(3-fluorophenoxy)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide?
The canonical SMILES for 2-(3-fluorophenoxy)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide is CC(C)CC(CO)NC(=O)C(C)Oc1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenoxy)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide?
The InChIKey is NNZJEQFQXLYMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO3/c1-10(2)7-13(9-18)17-15(19)11(3)20-14-6-4-5-12(16)8-14/h4-6,8,10-11,13,18H,7,9H2,1-3H3,(H,17,19).
What are the key properties of 2-(3-fluorophenoxy)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide?
2-(3-fluorophenoxy)-N-(1-hydroxy-4-methylpentan-2-yl)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-(3-fluorophenoxy)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide is sourced from PubChem (CID 61246472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).