4-bromo-2-fluoro-N-(4-hydroxybutyl)benzamide

C11H13BrFNO2 — CID 106842307

IUPAC4-bromo-2-fluoro-N-(4-hydroxybutyl)benzamide
SMILESO=C(NCCCCO)c1ccc(Br)cc1F
InChIInChI=1S/C11H13BrFNO2/c12-8-3-4-9(10(13)7-8)11(16)14-5-1-2-6-15/h3-4,7,15H,1-2,5-6H2,(H,14,16)
InChIKeyCHYBXUSCCPPCHJ-UHFFFAOYSA-N
MW290.13 g/mol
LogP2.09
Rot. Bonds5

About 4-bromo-2-fluoro-N-(4-hydroxybutyl)benzamide

4-bromo-2-fluoro-N-(4-hydroxybutyl)benzamide (PubChem CID 106842307) has the molecular formula C11H13BrFNO2 and a molecular weight of 290.13 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-(4-hydroxybutyl)benzamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-(4-hydroxybutyl)benzamide
PubChem CID106842307
Molecular FormulaC11H13BrFNO2
Molecular Weight290.13 g/mol
Exact Mass289.01
IUPAC Name4-bromo-2-fluoro-N-(4-hydroxybutyl)benzamide
SMILESO=C(NCCCCO)c1ccc(Br)cc1F
InChIInChI=1S/C11H13BrFNO2/c12-8-3-4-9(10(13)7-8)11(16)14-5-1-2-6-15/h3-4,7,15H,1-2,5-6H2,(H,14,16)
InChIKeyCHYBXUSCCPPCHJ-UHFFFAOYSA-N
XLogP2.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.13
LogP ≤ 52.09
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-bromo-N-(6-bromohexyl)-2-fluorobenzamide
CID 114008594
4-bromo-N-(5-chloropentyl)-2-fluorobenzamide
CID 107321212
4-bromo-N-(3-chloropropyl)-2-fluorobenzamide
CID 43133463
4-bromo-2-fluoro-N-(3-methoxypropyl)benzamide
CID 43090254
4-bromo-2-chloro-N-(5-hydroxypentyl)benzamide
CID 107319112
4-bromo-N-(6-hydroxyhexyl)-2-(trifluoromethyl)benzamide
CID 103925383
N-(3-azidopropyl)-4-bromo-2-fluorobenzamide
CID 61344699
4-bromo-N-(3-ethoxypropyl)-2-fluorobenzamide
CID 24691532
2-[(4-bromo-2-fluorobenzoyl)amino]ethyl carbamate
CID 83204466
4-bromo-2-fluoro-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 60674522
4-bromo-2-fluoro-N-[2-(propylamino)ethyl]benzamide
CID 62659198
2,3,4-trifluoro-N-(5-hydroxypentyl)benzamide
CID 108797326

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-(4-hydroxybutyl)benzamide?
The IUPAC name of 4-bromo-2-fluoro-N-(4-hydroxybutyl)benzamide (CID 106842307) is 4-bromo-2-fluoro-N-(4-hydroxybutyl)benzamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-(4-hydroxybutyl)benzamide?
The canonical SMILES for 4-bromo-2-fluoro-N-(4-hydroxybutyl)benzamide is O=C(NCCCCO)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluoro-N-(4-hydroxybutyl)benzamide?
The InChIKey is CHYBXUSCCPPCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO2/c12-8-3-4-9(10(13)7-8)11(16)14-5-1-2-6-15/h3-4,7,15H,1-2,5-6H2,(H,14,16).
What are the key properties of 4-bromo-2-fluoro-N-(4-hydroxybutyl)benzamide?
4-bromo-2-fluoro-N-(4-hydroxybutyl)benzamide has a molecular weight of 290.13 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-(4-hydroxybutyl)benzamide is sourced from PubChem (CID 106842307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).