4-(3-fluorophenoxy)-N-(1-hydroxypropan-2-yl)butanamide

C13H18FNO3 — CID 110901665

IUPAC4-(3-fluorophenoxy)-N-(1-hydroxypropan-2-yl)butanamide
SMILESCC(CO)NC(=O)CCCOc1cccc(F)c1
InChIInChI=1S/C13H18FNO3/c1-10(9-16)15-13(17)6-3-7-18-12-5-2-4-11(14)8-12/h2,4-5,8,10,16H,3,6-7,9H2,1H3,(H,15,17)
InChIKeyZLUSBMMNMYGREN-UHFFFAOYSA-N
MW255.29 g/mol
LogP1.48
Rot. Bonds7

About 4-(3-fluorophenoxy)-N-(1-hydroxypropan-2-yl)butanamide

4-(3-fluorophenoxy)-N-(1-hydroxypropan-2-yl)butanamide (PubChem CID 110901665) has the molecular formula C13H18FNO3 and a molecular weight of 255.29 g/mol. Its IUPAC name is 4-(3-fluorophenoxy)-N-(1-hydroxypropan-2-yl)butanamide.

Molecular Properties

Compound Name4-(3-fluorophenoxy)-N-(1-hydroxypropan-2-yl)butanamide
PubChem CID110901665
Molecular FormulaC13H18FNO3
Molecular Weight255.29 g/mol
Exact Mass255.13
IUPAC Name4-(3-fluorophenoxy)-N-(1-hydroxypropan-2-yl)butanamide
SMILESCC(CO)NC(=O)CCCOc1cccc(F)c1
InChIInChI=1S/C13H18FNO3/c1-10(9-16)15-13(17)6-3-7-18-12-5-2-4-11(14)8-12/h2,4-5,8,10,16H,3,6-7,9H2,1H3,(H,15,17)
InChIKeyZLUSBMMNMYGREN-UHFFFAOYSA-N
XLogP1.48
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-4-(3-fluorophenoxy)butanamide;hydrochloride
CID 120506795
(2S)-2-[4-(3-fluorophenoxy)butanoylamino]-3-methylbutanoic acid
CID 119359981
2-[4-(3-fluorophenoxy)butanoylamino]-3-methylpentanoic acid
CID 119211432
4-(3-fluorophenoxy)-N-[(2S)-4-(1-methylpyrrol-2-yl)butan-2-yl]butanamide
CID 95777428
2-(3-fluorophenyl)-N-(1-hydroxypropan-2-yl)acetamide
CID 43419046
N-(2-amino-1-cyclopropylethyl)-4-(3-fluorophenoxy)butanamide
CID 119616655
4-(3-bromophenoxy)-N-butan-2-ylbutanamide
CID 112759657
N-(2-amino-1-cyclopropylethyl)-4-(3-fluorophenoxy)butanamide;hydrochloride
CID 119616654
6-(3-fluorophenoxy)hexan-3-one
CID 106801939
4-(3-fluorophenoxy)-N-(2-propan-2-ylpyrazol-3-yl)butanamide
CID 52717221
4-(4-fluorophenoxy)-N-[1-(3-methoxyphenyl)propan-2-yl]butanamide
CID 86941749
2-(3-fluorophenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79252060

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenoxy)-N-(1-hydroxypropan-2-yl)butanamide?
The IUPAC name of 4-(3-fluorophenoxy)-N-(1-hydroxypropan-2-yl)butanamide (CID 110901665) is 4-(3-fluorophenoxy)-N-(1-hydroxypropan-2-yl)butanamide.
What is the SMILES notation for 4-(3-fluorophenoxy)-N-(1-hydroxypropan-2-yl)butanamide?
The canonical SMILES for 4-(3-fluorophenoxy)-N-(1-hydroxypropan-2-yl)butanamide is CC(CO)NC(=O)CCCOc1cccc(F)c1.
What is the InChIKey of 4-(3-fluorophenoxy)-N-(1-hydroxypropan-2-yl)butanamide?
The InChIKey is ZLUSBMMNMYGREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3/c1-10(9-16)15-13(17)6-3-7-18-12-5-2-4-11(14)8-12/h2,4-5,8,10,16H,3,6-7,9H2,1H3,(H,15,17).
What are the key properties of 4-(3-fluorophenoxy)-N-(1-hydroxypropan-2-yl)butanamide?
4-(3-fluorophenoxy)-N-(1-hydroxypropan-2-yl)butanamide has a molecular weight of 255.29 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenoxy)-N-(1-hydroxypropan-2-yl)butanamide is sourced from PubChem (CID 110901665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).