3-(4-fluorophenyl)-N-(3-hydroxypropyl)butanamide

C13H18FNO2 — CID 110901174

IUPAC3-(4-fluorophenyl)-N-(3-hydroxypropyl)butanamide
SMILESCC(CC(=O)NCCCO)c1ccc(F)cc1
InChIInChI=1S/C13H18FNO2/c1-10(9-13(17)15-7-2-8-16)11-3-5-12(14)6-4-11/h3-6,10,16H,2,7-9H2,1H3,(H,15,17)
InChIKeyXIISHPFTXYYJSX-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.82
Rot. Bonds6

About 3-(4-fluorophenyl)-N-(3-hydroxypropyl)butanamide

3-(4-fluorophenyl)-N-(3-hydroxypropyl)butanamide (PubChem CID 110901174) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(3-hydroxypropyl)butanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(3-hydroxypropyl)butanamide
PubChem CID110901174
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name3-(4-fluorophenyl)-N-(3-hydroxypropyl)butanamide
SMILESCC(CC(=O)NCCCO)c1ccc(F)cc1
InChIInChI=1S/C13H18FNO2/c1-10(9-13(17)15-7-2-8-16)11-3-5-12(14)6-4-11/h3-6,10,16H,2,7-9H2,1H3,(H,15,17)
InChIKeyXIISHPFTXYYJSX-UHFFFAOYSA-N
XLogP1.82
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(4-fluorophenyl)-N-(3-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

4-[[(3R)-3-(4-fluorophenyl)butanoyl]amino]butanoic acid
CID 99849251
7-[3-(4-fluorophenyl)butanoylamino]heptanoic acid
CID 119227583
N-(3-cyclopentylpropyl)-3-(4-fluorophenyl)butanamide
CID 55923475
3-(4-aminophenyl)-N-(5-hydroxypentyl)butanamide
CID 107317608
ethyl 3-[[(3S)-3-(4-fluorophenyl)butanoyl]amino]propanoate
CID 94800030
N-[2-(4-fluorophenyl)ethyl]-3-phenylbutanamide
CID 2914347
(2R)-2-[3-(4-fluorophenyl)butanoylamino]propanoic acid
CID 119244525
N-[3-(4-bromoanilino)-3-oxopropyl]-3-(4-fluorophenyl)butanamide
CID 55952744
N-(4-aminobutyl)-3-(4-aminophenyl)butanamide
CID 104502429
3-(4-fluorophenyl)-N-(4-methoxybutyl)-4-methylpentanamide
CID 110610148
(3R)-N-(4-amino-4-oxobutyl)-3-[4-(trifluoromethyl)phenyl]butanamide
CID 94676198
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)butanamide
CID 111451226

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(3-hydroxypropyl)butanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(3-hydroxypropyl)butanamide (CID 110901174) is 3-(4-fluorophenyl)-N-(3-hydroxypropyl)butanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(3-hydroxypropyl)butanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(3-hydroxypropyl)butanamide is CC(CC(=O)NCCCO)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(3-hydroxypropyl)butanamide?
The InChIKey is XIISHPFTXYYJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-10(9-13(17)15-7-2-8-16)11-3-5-12(14)6-4-11/h3-6,10,16H,2,7-9H2,1H3,(H,15,17).
What are the key properties of 3-(4-fluorophenyl)-N-(3-hydroxypropyl)butanamide?
3-(4-fluorophenyl)-N-(3-hydroxypropyl)butanamide has a molecular weight of 239.29 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(3-hydroxypropyl)butanamide is sourced from PubChem (CID 110901174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).