3-(2-fluorophenoxy)-N-(2-hydroxy-2-methylpropyl)propanamide

C13H18FNO3 — CID 65109845

IUPAC3-(2-fluorophenoxy)-N-(2-hydroxy-2-methylpropyl)propanamide
SMILESCC(C)(O)CNC(=O)CCOc1ccccc1F
InChIInChI=1S/C13H18FNO3/c1-13(2,17)9-15-12(16)7-8-18-11-6-4-3-5-10(11)14/h3-6,17H,7-9H2,1-2H3,(H,15,16)
InChIKeyAXAUSZOMAKKFHD-UHFFFAOYSA-N
MW255.29 g/mol
LogP1.48
Rot. Bonds6

About 3-(2-fluorophenoxy)-N-(2-hydroxy-2-methylpropyl)propanamide

3-(2-fluorophenoxy)-N-(2-hydroxy-2-methylpropyl)propanamide (PubChem CID 65109845) has the molecular formula C13H18FNO3 and a molecular weight of 255.29 g/mol. Its IUPAC name is 3-(2-fluorophenoxy)-N-(2-hydroxy-2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-(2-fluorophenoxy)-N-(2-hydroxy-2-methylpropyl)propanamide
PubChem CID65109845
Molecular FormulaC13H18FNO3
Molecular Weight255.29 g/mol
Exact Mass255.13
IUPAC Name3-(2-fluorophenoxy)-N-(2-hydroxy-2-methylpropyl)propanamide
SMILESCC(C)(O)CNC(=O)CCOc1ccccc1F
InChIInChI=1S/C13H18FNO3/c1-13(2,17)9-15-12(16)7-8-18-11-6-4-3-5-10(11)14/h3-6,17H,7-9H2,1-2H3,(H,15,16)
InChIKeyAXAUSZOMAKKFHD-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

3-[3-(2-fluorophenoxy)propanoylamino]-2,2-dimethylpropanoic acid
CID 81370073
3-(2-fluorophenoxy)-N-propylpropanamide
CID 60637780
3-(2-fluorophenoxy)-N-(2-hydroxyethyl)propanamide
CID 43388959
N-(2-aminoethyl)-3-(2-fluorophenoxy)propanamide;hydrochloride
CID 119382925
3-(2-fluorophenoxy)-N-methoxypropanamide
CID 60717911
3-(2-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide
CID 120831531
N-[2-(ethylamino)ethyl]-3-(2-fluorophenoxy)propanamide;hydrochloride
CID 119505851
(2R)-2-[3-(2-fluorophenoxy)propanoylamino]-3,3-dimethylbutanoic acid
CID 103926654
tert-butyl N-[2-(2-fluorophenoxy)ethyl]carbamate
CID 54333211
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-(2-fluorophenoxy)propanamide
CID 107845510
(2S)-3-[3-(2-fluorophenoxy)propanoylamino]-2-hydroxypropanoic acid
CID 107833559
4-(2-fluorophenoxy)butan-2-one
CID 28948853

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenoxy)-N-(2-hydroxy-2-methylpropyl)propanamide?
The IUPAC name of 3-(2-fluorophenoxy)-N-(2-hydroxy-2-methylpropyl)propanamide (CID 65109845) is 3-(2-fluorophenoxy)-N-(2-hydroxy-2-methylpropyl)propanamide.
What is the SMILES notation for 3-(2-fluorophenoxy)-N-(2-hydroxy-2-methylpropyl)propanamide?
The canonical SMILES for 3-(2-fluorophenoxy)-N-(2-hydroxy-2-methylpropyl)propanamide is CC(C)(O)CNC(=O)CCOc1ccccc1F.
What is the InChIKey of 3-(2-fluorophenoxy)-N-(2-hydroxy-2-methylpropyl)propanamide?
The InChIKey is AXAUSZOMAKKFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3/c1-13(2,17)9-15-12(16)7-8-18-11-6-4-3-5-10(11)14/h3-6,17H,7-9H2,1-2H3,(H,15,16).
What are the key properties of 3-(2-fluorophenoxy)-N-(2-hydroxy-2-methylpropyl)propanamide?
3-(2-fluorophenoxy)-N-(2-hydroxy-2-methylpropyl)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 3-(2-fluorophenoxy)-N-(2-hydroxy-2-methylpropyl)propanamide is sourced from PubChem (CID 65109845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).