2-(3-fluorophenoxy)-N-(1-hydroxybutan-2-yl)propanamide

C13H18FNO3 — CID 43417847

IUPAC2-(3-fluorophenoxy)-N-(1-hydroxybutan-2-yl)propanamide
SMILESCCC(CO)NC(=O)C(C)Oc1cccc(F)c1
InChIInChI=1S/C13H18FNO3/c1-3-11(8-16)15-13(17)9(2)18-12-6-4-5-10(14)7-12/h4-7,9,11,16H,3,8H2,1-2H3,(H,15,17)
InChIKeyQEHILXJEISTDHZ-UHFFFAOYSA-N
MW255.29 g/mol
LogP1.48
Rot. Bonds6

About 2-(3-fluorophenoxy)-N-(1-hydroxybutan-2-yl)propanamide

2-(3-fluorophenoxy)-N-(1-hydroxybutan-2-yl)propanamide (PubChem CID 43417847) has the molecular formula C13H18FNO3 and a molecular weight of 255.29 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-N-(1-hydroxybutan-2-yl)propanamide.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-N-(1-hydroxybutan-2-yl)propanamide
PubChem CID43417847
Molecular FormulaC13H18FNO3
Molecular Weight255.29 g/mol
Exact Mass255.13
IUPAC Name2-(3-fluorophenoxy)-N-(1-hydroxybutan-2-yl)propanamide
SMILESCCC(CO)NC(=O)C(C)Oc1cccc(F)c1
InChIInChI=1S/C13H18FNO3/c1-3-11(8-16)15-13(17)9(2)18-12-6-4-5-10(14)7-12/h4-7,9,11,16H,3,8H2,1-2H3,(H,15,17)
InChIKeyQEHILXJEISTDHZ-UHFFFAOYSA-N
XLogP1.48
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenoxy)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
CID 61246472
N-[(2R)-1-hydroxybutan-2-yl]-2-phenoxypropanamide
CID 103920159
N-[(2S)-1-hydroxybutan-2-yl]-2-(3-methylphenoxy)propanamide
CID 104981564
2-(4-fluorophenoxy)-N-pentan-3-ylpropanamide
CID 53282042
N-[(2R)-1-hydroxybutan-2-yl]-2-(4-methoxyphenoxy)propanamide
CID 103920282
N-(1,3-dihydroxypropan-2-yl)-2-(3-methylphenoxy)propanamide
CID 65315418
(2S)-2-[2-(3-fluorophenoxy)propanoylamino]-4-methylpentanoic acid
CID 61155162
1-[2-(3-fluorophenoxy)butyl]-3-(1-hydroxybutan-2-yl)urea
CID 111974568
2-(3,4-dichlorophenoxy)-N-(1-hydroxybutan-2-yl)propanamide
CID 110895980
(2S)-2-(3-chlorophenoxy)-N-pentan-3-ylpropanamide
CID 94087042
2-(4-chlorophenoxy)-N-[(2R)-1-hydroxybutan-2-yl]propanamide
CID 103920103
(2R)-4-amino-2-[2-(3-fluorophenoxy)propanoylamino]-4-oxobutanoic acid
CID 107821491

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)-N-(1-hydroxybutan-2-yl)propanamide?
The IUPAC name of 2-(3-fluorophenoxy)-N-(1-hydroxybutan-2-yl)propanamide (CID 43417847) is 2-(3-fluorophenoxy)-N-(1-hydroxybutan-2-yl)propanamide.
What is the SMILES notation for 2-(3-fluorophenoxy)-N-(1-hydroxybutan-2-yl)propanamide?
The canonical SMILES for 2-(3-fluorophenoxy)-N-(1-hydroxybutan-2-yl)propanamide is CCC(CO)NC(=O)C(C)Oc1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenoxy)-N-(1-hydroxybutan-2-yl)propanamide?
The InChIKey is QEHILXJEISTDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3/c1-3-11(8-16)15-13(17)9(2)18-12-6-4-5-10(14)7-12/h4-7,9,11,16H,3,8H2,1-2H3,(H,15,17).
What are the key properties of 2-(3-fluorophenoxy)-N-(1-hydroxybutan-2-yl)propanamide?
2-(3-fluorophenoxy)-N-(1-hydroxybutan-2-yl)propanamide has a molecular weight of 255.29 g/mol, XLogP of 1.48, 6 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-hydroxybutan-2-yl)propanamide is sourced from PubChem (CID 43417847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).