N-(6-bromohexyl)-2-fluoro-4-hydroxybenzamide

C13H17BrFNO2 — CID 107847909

IUPACN-(6-bromohexyl)-2-fluoro-4-hydroxybenzamide
SMILESO=C(NCCCCCCBr)c1ccc(O)cc1F
InChIInChI=1S/C13H17BrFNO2/c14-7-3-1-2-4-8-16-13(18)11-6-5-10(17)9-12(11)15/h5-6,9,17H,1-4,7-8H2,(H,16,18)
InChIKeyVSHAWQPTBDDXBG-UHFFFAOYSA-N
MW318.19 g/mol
LogP3.22
Rot. Bonds7

About N-(6-bromohexyl)-2-fluoro-4-hydroxybenzamide

N-(6-bromohexyl)-2-fluoro-4-hydroxybenzamide (PubChem CID 107847909) has the molecular formula C13H17BrFNO2 and a molecular weight of 318.19 g/mol. Its IUPAC name is N-(6-bromohexyl)-2-fluoro-4-hydroxybenzamide.

Molecular Properties

Compound NameN-(6-bromohexyl)-2-fluoro-4-hydroxybenzamide
PubChem CID107847909
Molecular FormulaC13H17BrFNO2
Molecular Weight318.19 g/mol
Exact Mass317.04
IUPAC NameN-(6-bromohexyl)-2-fluoro-4-hydroxybenzamide
SMILESO=C(NCCCCCCBr)c1ccc(O)cc1F
InChIInChI=1S/C13H17BrFNO2/c14-7-3-1-2-4-8-16-13(18)11-6-5-10(17)9-12(11)15/h5-6,9,17H,1-4,7-8H2,(H,16,18)
InChIKeyVSHAWQPTBDDXBG-UHFFFAOYSA-N
XLogP3.22
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.19
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-(6-bromohexyl)-2-fluorobenzamide
CID 114008594
N-(5-bromopentyl)-2-chloro-5-hydroxybenzamide
CID 107321908
N-(4-bromobutyl)-2,3,4-trifluorobenzamide
CID 106845799
2-fluoro-4-hydroxy-N-[4-(2-methoxyethoxy)butyl]benzamide
CID 104929735
N-(5-bromopentyl)-2,4-difluoro-5-methylbenzamide
CID 107322118
N-(6-bromohexyl)-2-fluoro-6-hydroxybenzamide
CID 114008519
N-(3-cyclopentylpropyl)-2-fluoro-4-hydroxybenzamide
CID 103940047
N-[3-(2-chloroethoxy)propyl]-2-fluoro-4-hydroxybenzamide
CID 114171329
2-bromo-N-(5-bromopentyl)-5-fluorobenzamide
CID 107322000
N-but-3-enyl-2-fluoro-4-hydroxybenzamide
CID 107676829
2-bromo-N-(4-bromobutyl)-4-fluorobenzamide
CID 106845591
4-chloro-2-fluoro-N-(6-iodohexyl)benzamide
CID 114008622

Frequently Asked Questions

What is the IUPAC name of N-(6-bromohexyl)-2-fluoro-4-hydroxybenzamide?
The IUPAC name of N-(6-bromohexyl)-2-fluoro-4-hydroxybenzamide (CID 107847909) is N-(6-bromohexyl)-2-fluoro-4-hydroxybenzamide.
What is the SMILES notation for N-(6-bromohexyl)-2-fluoro-4-hydroxybenzamide?
The canonical SMILES for N-(6-bromohexyl)-2-fluoro-4-hydroxybenzamide is O=C(NCCCCCCBr)c1ccc(O)cc1F.
What is the InChIKey of N-(6-bromohexyl)-2-fluoro-4-hydroxybenzamide?
The InChIKey is VSHAWQPTBDDXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFNO2/c14-7-3-1-2-4-8-16-13(18)11-6-5-10(17)9-12(11)15/h5-6,9,17H,1-4,7-8H2,(H,16,18).
What are the key properties of N-(6-bromohexyl)-2-fluoro-4-hydroxybenzamide?
N-(6-bromohexyl)-2-fluoro-4-hydroxybenzamide has a molecular weight of 318.19 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromohexyl)-2-fluoro-4-hydroxybenzamide is sourced from PubChem (CID 107847909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).