4-(2-fluorophenoxy)-N-(2-hydroxypropyl)butanamide

C13H18FNO3 — CID 110466153

IUPAC4-(2-fluorophenoxy)-N-(2-hydroxypropyl)butanamide
SMILESCC(O)CNC(=O)CCCOc1ccccc1F
InChIInChI=1S/C13H18FNO3/c1-10(16)9-15-13(17)7-4-8-18-12-6-3-2-5-11(12)14/h2-3,5-6,10,16H,4,7-9H2,1H3,(H,15,17)
InChIKeyULQUOAMYLASZKJ-UHFFFAOYSA-N
MW255.29 g/mol
LogP1.48
Rot. Bonds7

About 4-(2-fluorophenoxy)-N-(2-hydroxypropyl)butanamide

4-(2-fluorophenoxy)-N-(2-hydroxypropyl)butanamide (PubChem CID 110466153) has the molecular formula C13H18FNO3 and a molecular weight of 255.29 g/mol. Its IUPAC name is 4-(2-fluorophenoxy)-N-(2-hydroxypropyl)butanamide.

Molecular Properties

Compound Name4-(2-fluorophenoxy)-N-(2-hydroxypropyl)butanamide
PubChem CID110466153
Molecular FormulaC13H18FNO3
Molecular Weight255.29 g/mol
Exact Mass255.13
IUPAC Name4-(2-fluorophenoxy)-N-(2-hydroxypropyl)butanamide
SMILESCC(O)CNC(=O)CCCOc1ccccc1F
InChIInChI=1S/C13H18FNO3/c1-10(16)9-15-13(17)7-4-8-18-12-6-3-2-5-11(12)14/h2-3,5-6,10,16H,4,7-9H2,1H3,(H,15,17)
InChIKeyULQUOAMYLASZKJ-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'}

Analyze 4-(2-fluorophenoxy)-N-(2-hydroxypropyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-cyclopentyl-2-hydroxyethyl)-4-(2-fluorophenoxy)butanamide
CID 111426079
N-[(2S)-2-hydroxypropyl]-4-phenoxybutanamide
CID 83030039
3-(2-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide
CID 120831531
4-(2-fluorophenoxy)-N-prop-2-ynylbutanamide
CID 60550880
2-[4-(2-fluorophenoxy)butanoylamino]acetic acid
CID 110466152
(2S)-3-[3-(2-fluorophenoxy)propanoylamino]-2-hydroxypropanoic acid
CID 107833559
N-[(2R)-2-(ethylamino)propyl]-3-(2-fluorophenoxy)propanamide
CID 120650525
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-(2-methylphenoxy)butanamide
CID 111565790
5-[3-(2-fluorophenoxy)propanoylamino]-4-methylpentanoic acid
CID 82009038
4-(4-chlorophenoxy)-N-(2-hydroxypropyl)butanamide
CID 110487099
3-(2-fluorophenyl)-N-(2-hydroxypropyl)propanamide
CID 110886726
N-(1-amino-4-methylpentan-2-yl)-4-(2-fluorophenoxy)butanamide
CID 119587842

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenoxy)-N-(2-hydroxypropyl)butanamide?
The IUPAC name of 4-(2-fluorophenoxy)-N-(2-hydroxypropyl)butanamide (CID 110466153) is 4-(2-fluorophenoxy)-N-(2-hydroxypropyl)butanamide.
What is the SMILES notation for 4-(2-fluorophenoxy)-N-(2-hydroxypropyl)butanamide?
The canonical SMILES for 4-(2-fluorophenoxy)-N-(2-hydroxypropyl)butanamide is CC(O)CNC(=O)CCCOc1ccccc1F.
What is the InChIKey of 4-(2-fluorophenoxy)-N-(2-hydroxypropyl)butanamide?
The InChIKey is ULQUOAMYLASZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3/c1-10(16)9-15-13(17)7-4-8-18-12-6-3-2-5-11(12)14/h2-3,5-6,10,16H,4,7-9H2,1H3,(H,15,17).
What are the key properties of 4-(2-fluorophenoxy)-N-(2-hydroxypropyl)butanamide?
4-(2-fluorophenoxy)-N-(2-hydroxypropyl)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-(2-fluorophenoxy)-N-(2-hydroxypropyl)butanamide is sourced from PubChem (CID 110466153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).