5-fluoro-2-hydroxy-N-(4-hydroxybutyl)benzamide

C11H14FNO3 — CID 106843460

IUPAC5-fluoro-2-hydroxy-N-(4-hydroxybutyl)benzamide
SMILESO=C(NCCCCO)c1cc(F)ccc1O
InChIInChI=1S/C11H14FNO3/c12-8-3-4-10(15)9(7-8)11(16)13-5-1-2-6-14/h3-4,7,14-15H,1-2,5-6H2,(H,13,16)
InChIKeyRNUCVVNUBKEZHR-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.03
Rot. Bonds5

About 5-fluoro-2-hydroxy-N-(4-hydroxybutyl)benzamide

5-fluoro-2-hydroxy-N-(4-hydroxybutyl)benzamide (PubChem CID 106843460) has the molecular formula C11H14FNO3 and a molecular weight of 227.23 g/mol. Its IUPAC name is 5-fluoro-2-hydroxy-N-(4-hydroxybutyl)benzamide.

Molecular Properties

Compound Name5-fluoro-2-hydroxy-N-(4-hydroxybutyl)benzamide
PubChem CID106843460
Molecular FormulaC11H14FNO3
Molecular Weight227.23 g/mol
Exact Mass227.10
IUPAC Name5-fluoro-2-hydroxy-N-(4-hydroxybutyl)benzamide
SMILESO=C(NCCCCO)c1cc(F)ccc1O
InChIInChI=1S/C11H14FNO3/c12-8-3-4-10(15)9(7-8)11(16)13-5-1-2-6-14/h3-4,7,14-15H,1-2,5-6H2,(H,13,16)
InChIKeyRNUCVVNUBKEZHR-UHFFFAOYSA-N
XLogP1.03
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-fluoro-2-hydroxy-N-(4-hydroxybutyl)benzamide 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

5-fluoro-2-hydroxy-N-(2-hydroxyethyl)benzamide
CID 67742481
5-fluoro-2-hydroxy-N-(4-methoxybutyl)benzamide
CID 79523733
5-fluoro-N-(6-hydroxyhexyl)-2-methylbenzamide
CID 103919616
5-fluoro-2-hydroxy-N-(8-oxononyl)benzamide
CID 59140674
4-fluoro-N-(4-hydroxybutyl)-2-methylbenzamide
CID 106841516
N-ethyl-5-fluoro-2-hydroxybenzamide
CID 79531934
5-fluoro-2-hydroxy-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 79881248
5-fluoro-N-[9-[4-[1-[9-[(5-fluoro-2-hydroxybenzoyl)amino]nonyl]piperidin-4-yl]oxypiperidin-1-yl]nonyl]-2-hydroxybenzamide
CID 142786438
N-(4-aminobutyl)-4-fluoro-2-hydroxybenzamide
CID 107012875
4-[(4-fluoro-2-hydroxybenzoyl)amino]butanoic acid
CID 107013327
N-[2-(2-bromoethoxy)ethyl]-5-fluoro-2-hydroxybenzamide
CID 115299614
4-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylbutanoic acid
CID 115298591

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-hydroxy-N-(4-hydroxybutyl)benzamide?
The IUPAC name of 5-fluoro-2-hydroxy-N-(4-hydroxybutyl)benzamide (CID 106843460) is 5-fluoro-2-hydroxy-N-(4-hydroxybutyl)benzamide.
What is the SMILES notation for 5-fluoro-2-hydroxy-N-(4-hydroxybutyl)benzamide?
The canonical SMILES for 5-fluoro-2-hydroxy-N-(4-hydroxybutyl)benzamide is O=C(NCCCCO)c1cc(F)ccc1O.
What is the InChIKey of 5-fluoro-2-hydroxy-N-(4-hydroxybutyl)benzamide?
The InChIKey is RNUCVVNUBKEZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO3/c12-8-3-4-10(15)9(7-8)11(16)13-5-1-2-6-14/h3-4,7,14-15H,1-2,5-6H2,(H,13,16).
What are the key properties of 5-fluoro-2-hydroxy-N-(4-hydroxybutyl)benzamide?
5-fluoro-2-hydroxy-N-(4-hydroxybutyl)benzamide has a molecular weight of 227.23 g/mol, XLogP of 1.03, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-hydroxy-N-(4-hydroxybutyl)benzamide is sourced from PubChem (CID 106843460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).