N-(4-bromo-2-ethylbutyl)-4-fluoro-2-hydroxybenzamide

C13H17BrFNO2 — CID 107016911

IUPACN-(4-bromo-2-ethylbutyl)-4-fluoro-2-hydroxybenzamide
SMILESCCC(CCBr)CNC(=O)c1ccc(F)cc1O
InChIInChI=1S/C13H17BrFNO2/c1-2-9(5-6-14)8-16-13(18)11-4-3-10(15)7-12(11)17/h3-4,7,9,17H,2,5-6,8H2,1H3,(H,16,18)
InChIKeyZVGMJIZRTNJTIX-UHFFFAOYSA-N
MW318.19 g/mol
LogP3.07
Rot. Bonds6

About N-(4-bromo-2-ethylbutyl)-4-fluoro-2-hydroxybenzamide

N-(4-bromo-2-ethylbutyl)-4-fluoro-2-hydroxybenzamide (PubChem CID 107016911) has the molecular formula C13H17BrFNO2 and a molecular weight of 318.19 g/mol. Its IUPAC name is N-(4-bromo-2-ethylbutyl)-4-fluoro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(4-bromo-2-ethylbutyl)-4-fluoro-2-hydroxybenzamide
PubChem CID107016911
Molecular FormulaC13H17BrFNO2
Molecular Weight318.19 g/mol
Exact Mass317.04
IUPAC NameN-(4-bromo-2-ethylbutyl)-4-fluoro-2-hydroxybenzamide
SMILESCCC(CCBr)CNC(=O)c1ccc(F)cc1O
InChIInChI=1S/C13H17BrFNO2/c1-2-9(5-6-14)8-16-13(18)11-4-3-10(15)7-12(11)17/h3-4,7,9,17H,2,5-6,8H2,1H3,(H,16,18)
InChIKeyZVGMJIZRTNJTIX-UHFFFAOYSA-N
XLogP3.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.19
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromo-2-ethylbutyl)-4-fluorobenzamide
CID 114317772
N-(4-bromo-2-ethylbutyl)-2-fluoro-4-methylbenzamide
CID 113276417
2-bromo-N-[2-(2-bromoethyl)pentyl]-5-fluorobenzamide
CID 114145829
N-(4-bromo-2-ethylbutyl)-2,6-dihydroxybenzamide
CID 107691145
N-(2-ethylbutyl)-4-fluoro-2-methylbenzamide
CID 115745580
N-(2-ethoxypropyl)-4-fluoro-2-hydroxybenzamide
CID 113304594
N-(1-bromobutan-2-yl)-4-fluoro-2-hydroxybenzamide
CID 107016853
4-fluoro-2-hydroxy-N-(2-methoxypropyl)benzamide
CID 102737733
2-bromo-N-(4-bromo-2-ethylbutyl)-5-methylbenzamide
CID 114317834
N-(4-bromo-2-ethylbutyl)-4-hydroxybenzamide
CID 114317617
2-[[(4-fluoro-2-hydroxybenzoyl)amino]methyl]-3-methylbutanoic acid
CID 107013642
3-bromo-N-(4-bromo-2-ethylbutyl)-4-fluorobenzamide
CID 107956765

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethylbutyl)-4-fluoro-2-hydroxybenzamide?
The IUPAC name of N-(4-bromo-2-ethylbutyl)-4-fluoro-2-hydroxybenzamide (CID 107016911) is N-(4-bromo-2-ethylbutyl)-4-fluoro-2-hydroxybenzamide.
What is the SMILES notation for N-(4-bromo-2-ethylbutyl)-4-fluoro-2-hydroxybenzamide?
The canonical SMILES for N-(4-bromo-2-ethylbutyl)-4-fluoro-2-hydroxybenzamide is CCC(CCBr)CNC(=O)c1ccc(F)cc1O.
What is the InChIKey of N-(4-bromo-2-ethylbutyl)-4-fluoro-2-hydroxybenzamide?
The InChIKey is ZVGMJIZRTNJTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFNO2/c1-2-9(5-6-14)8-16-13(18)11-4-3-10(15)7-12(11)17/h3-4,7,9,17H,2,5-6,8H2,1H3,(H,16,18).
What are the key properties of N-(4-bromo-2-ethylbutyl)-4-fluoro-2-hydroxybenzamide?
N-(4-bromo-2-ethylbutyl)-4-fluoro-2-hydroxybenzamide has a molecular weight of 318.19 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-ethylbutyl)-4-fluoro-2-hydroxybenzamide is sourced from PubChem (CID 107016911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).