4-fluoro-2-hydroxy-N-(4-methylpentyl)benzamide

C13H18FNO2 — CID 103829717

IUPAC4-fluoro-2-hydroxy-N-(4-methylpentyl)benzamide
SMILESCC(C)CCCNC(=O)c1ccc(F)cc1O
InChIInChI=1S/C13H18FNO2/c1-9(2)4-3-7-15-13(17)11-6-5-10(14)8-12(11)16/h5-6,8-9,16H,3-4,7H2,1-2H3,(H,15,17)
InChIKeyUTPJXBDXOYQLDZ-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.70
Rot. Bonds5

About 4-fluoro-2-hydroxy-N-(4-methylpentyl)benzamide

4-fluoro-2-hydroxy-N-(4-methylpentyl)benzamide (PubChem CID 103829717) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 4-fluoro-2-hydroxy-N-(4-methylpentyl)benzamide.

Molecular Properties

Compound Name4-fluoro-2-hydroxy-N-(4-methylpentyl)benzamide
PubChem CID103829717
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name4-fluoro-2-hydroxy-N-(4-methylpentyl)benzamide
SMILESCC(C)CCCNC(=O)c1ccc(F)cc1O
InChIInChI=1S/C13H18FNO2/c1-9(2)4-3-7-15-13(17)11-6-5-10(14)8-12(11)16/h5-6,8-9,16H,3-4,7H2,1-2H3,(H,15,17)
InChIKeyUTPJXBDXOYQLDZ-UHFFFAOYSA-N
XLogP2.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-2-hydroxy-N-[3-(2-methylpropanoylamino)propyl]benzamide
CID 86814360
4-bromo-2-hydroxy-N-(4-methylpentyl)benzamide
CID 63528181
2-amino-4-fluoro-N-(7-methyloctyl)benzamide
CID 62075011
N-(4-aminobutyl)-4-fluoro-2-hydroxybenzamide
CID 107012875
4-[(4-fluoro-2-hydroxybenzoyl)amino]butanoic acid
CID 107013327
4-fluoro-2-hydroxy-N-(4-methylsulfanylbutyl)benzamide
CID 113304588
N-(3-ethoxypropyl)-4-fluoro-2-hydroxybenzamide
CID 103829625
4-fluoro-2-hydroxy-N-[2-(methylsulfamoyl)ethyl]benzamide
CID 102685154
4-ethyl-2-hydroxy-N-(7-methyloctyl)benzamide
CID 155970084
4-fluoro-2-hydroxy-N-[4-(2-methoxyethoxy)butyl]benzamide
CID 103829912
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 4-fluoro-2-hydroxy-N-(4-methylpentyl)benzamide?
The IUPAC name of 4-fluoro-2-hydroxy-N-(4-methylpentyl)benzamide (CID 103829717) is 4-fluoro-2-hydroxy-N-(4-methylpentyl)benzamide.
What is the SMILES notation for 4-fluoro-2-hydroxy-N-(4-methylpentyl)benzamide?
The canonical SMILES for 4-fluoro-2-hydroxy-N-(4-methylpentyl)benzamide is CC(C)CCCNC(=O)c1ccc(F)cc1O.
What is the InChIKey of 4-fluoro-2-hydroxy-N-(4-methylpentyl)benzamide?
The InChIKey is UTPJXBDXOYQLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-9(2)4-3-7-15-13(17)11-6-5-10(14)8-12(11)16/h5-6,8-9,16H,3-4,7H2,1-2H3,(H,15,17).
What are the key properties of 4-fluoro-2-hydroxy-N-(4-methylpentyl)benzamide?
4-fluoro-2-hydroxy-N-(4-methylpentyl)benzamide has a molecular weight of 239.29 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-hydroxy-N-(4-methylpentyl)benzamide is sourced from PubChem (CID 103829717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).