N-(4-aminobutyl)-4-fluoro-2-hydroxybenzamide

C11H15FN2O2 — CID 107012875

IUPACN-(4-aminobutyl)-4-fluoro-2-hydroxybenzamide
SMILESNCCCCNC(=O)c1ccc(F)cc1O
InChIInChI=1S/C11H15FN2O2/c12-8-3-4-9(10(15)7-8)11(16)14-6-2-1-5-13/h3-4,7,15H,1-2,5-6,13H2,(H,14,16)
InChIKeyGDSDFFDGLNEEOJ-UHFFFAOYSA-N
MW226.25 g/mol
LogP1.00
Rot. Bonds5

About N-(4-aminobutyl)-4-fluoro-2-hydroxybenzamide

N-(4-aminobutyl)-4-fluoro-2-hydroxybenzamide (PubChem CID 107012875) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is N-(4-aminobutyl)-4-fluoro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(4-aminobutyl)-4-fluoro-2-hydroxybenzamide
PubChem CID107012875
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC NameN-(4-aminobutyl)-4-fluoro-2-hydroxybenzamide
SMILESNCCCCNC(=O)c1ccc(F)cc1O
InChIInChI=1S/C11H15FN2O2/c12-8-3-4-9(10(15)7-8)11(16)14-6-2-1-5-13/h3-4,7,15H,1-2,5-6,13H2,(H,14,16)
InChIKeyGDSDFFDGLNEEOJ-UHFFFAOYSA-N
XLogP1.00
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-fluoro-2-hydroxybenzoyl)amino]butanoic acid
CID 107013327
4-fluoro-2-hydroxy-N-(4-methylsulfanylbutyl)benzamide
CID 113304588
4-fluoro-2-hydroxy-N-[3-(2-methylpropanoylamino)propyl]benzamide
CID 86814360
4-fluoro-2-hydroxy-N-(4-methylpentyl)benzamide
CID 103829717
4-fluoro-2-hydroxy-N-[4-(2-methoxyethoxy)butyl]benzamide
CID 103829912
N-(3-ethoxypropyl)-4-fluoro-2-hydroxybenzamide
CID 103829625
N-(3-azidopropyl)-4-fluoro-2-hydroxybenzamide
CID 107016285
N-(10-aminodecyl)-2-hydroxybenzamide;hydrochloride
CID 10268368
N-(3-cyclopentylpropyl)-4-fluoro-2-hydroxybenzamide
CID 106011705
N-[3-(2-chloroethoxy)propyl]-4-fluoro-2-hydroxybenzamide
CID 106307111
N-(3-butoxypropyl)-4-fluoro-2-hydroxybenzamide
CID 103829628
N-(3,3-dimethylbutyl)-4-fluoro-2-hydroxybenzamide
CID 113304540

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutyl)-4-fluoro-2-hydroxybenzamide?
The IUPAC name of N-(4-aminobutyl)-4-fluoro-2-hydroxybenzamide (CID 107012875) is N-(4-aminobutyl)-4-fluoro-2-hydroxybenzamide.
What is the SMILES notation for N-(4-aminobutyl)-4-fluoro-2-hydroxybenzamide?
The canonical SMILES for N-(4-aminobutyl)-4-fluoro-2-hydroxybenzamide is NCCCCNC(=O)c1ccc(F)cc1O.
What is the InChIKey of N-(4-aminobutyl)-4-fluoro-2-hydroxybenzamide?
The InChIKey is GDSDFFDGLNEEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c12-8-3-4-9(10(15)7-8)11(16)14-6-2-1-5-13/h3-4,7,15H,1-2,5-6,13H2,(H,14,16).
What are the key properties of N-(4-aminobutyl)-4-fluoro-2-hydroxybenzamide?
N-(4-aminobutyl)-4-fluoro-2-hydroxybenzamide has a molecular weight of 226.25 g/mol, XLogP of 1.00, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutyl)-4-fluoro-2-hydroxybenzamide is sourced from PubChem (CID 107012875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).