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

C11H13BrFNO2 — CID 107677727

IUPACN-(2-bromobutyl)-2-fluoro-4-hydroxybenzamide
SMILESCCC(Br)CNC(=O)c1ccc(O)cc1F
InChIInChI=1S/C11H13BrFNO2/c1-2-7(12)6-14-11(16)9-4-3-8(15)5-10(9)13/h3-5,7,15H,2,6H2,1H3,(H,14,16)
InChIKeyGNWQGWDMQNKLOY-UHFFFAOYSA-N
MW290.13 g/mol
LogP2.43
Rot. Bonds4

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

N-(2-bromobutyl)-2-fluoro-4-hydroxybenzamide (PubChem CID 107677727) has the molecular formula C11H13BrFNO2 and a molecular weight of 290.13 g/mol. Its IUPAC name is N-(2-bromobutyl)-2-fluoro-4-hydroxybenzamide.

Molecular Properties

Compound NameN-(2-bromobutyl)-2-fluoro-4-hydroxybenzamide
PubChem CID107677727
Molecular FormulaC11H13BrFNO2
Molecular Weight290.13 g/mol
Exact Mass289.01
IUPAC NameN-(2-bromobutyl)-2-fluoro-4-hydroxybenzamide
SMILESCCC(Br)CNC(=O)c1ccc(O)cc1F
InChIInChI=1S/C11H13BrFNO2/c1-2-7(12)6-14-11(16)9-4-3-8(15)5-10(9)13/h3-5,7,15H,2,6H2,1H3,(H,14,16)
InChIKeyGNWQGWDMQNKLOY-UHFFFAOYSA-N
XLogP2.43
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.13
LogP ≤ 52.43
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-(3-chloro-2-methylpropyl)-2-fluoro-4-hydroxybenzamide
CID 107677629
N-(2,3-dihydroxypropyl)-2-fluoro-4-hydroxybenzamide
CID 107677052
2-fluoro-4-hydroxy-N-(4-hydroxy-2-methylbutyl)benzamide
CID 103941390
2-fluoro-4-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)benzamide
CID 104929813
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-fluoro-4-hydroxybenzamide
CID 107677312
N-[(2-ethylphenyl)methyl]-2-fluoro-4-hydroxybenzamide
CID 103941364
N-(1-aminobutan-2-yl)-2-fluoro-4-hydroxybenzamide
CID 107677142
4-bromo-2-fluoro-N-(2-methylbutyl)benzamide
CID 55210019
4-bromo-N-(2-bromo-4,4-dimethylpentyl)-2-fluorobenzamide
CID 107156635
2-fluoro-4-hydroxy-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide
CID 103941340
N-(2-bromobutyl)-4-chloro-3-fluorobenzamide
CID 107994206
N-(2-aminobutyl)-4-bromo-2-fluorobenzamide
CID 63732420

Frequently Asked Questions

What is the IUPAC name of N-(2-bromobutyl)-2-fluoro-4-hydroxybenzamide?
The IUPAC name of N-(2-bromobutyl)-2-fluoro-4-hydroxybenzamide (CID 107677727) is N-(2-bromobutyl)-2-fluoro-4-hydroxybenzamide.
What is the SMILES notation for N-(2-bromobutyl)-2-fluoro-4-hydroxybenzamide?
The canonical SMILES for N-(2-bromobutyl)-2-fluoro-4-hydroxybenzamide is CCC(Br)CNC(=O)c1ccc(O)cc1F.
What is the InChIKey of N-(2-bromobutyl)-2-fluoro-4-hydroxybenzamide?
The InChIKey is GNWQGWDMQNKLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO2/c1-2-7(12)6-14-11(16)9-4-3-8(15)5-10(9)13/h3-5,7,15H,2,6H2,1H3,(H,14,16).
What are the key properties of N-(2-bromobutyl)-2-fluoro-4-hydroxybenzamide?
N-(2-bromobutyl)-2-fluoro-4-hydroxybenzamide has a molecular weight of 290.13 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromobutyl)-2-fluoro-4-hydroxybenzamide is sourced from PubChem (CID 107677727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).