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

C13H17BrFNO2 — CID 114008519

IUPACN-(6-bromohexyl)-2-fluoro-6-hydroxybenzamide
SMILESO=C(NCCCCCCBr)c1c(O)cccc1F
InChIInChI=1S/C13H17BrFNO2/c14-8-3-1-2-4-9-16-13(18)12-10(15)6-5-7-11(12)17/h5-7,17H,1-4,8-9H2,(H,16,18)
InChIKeyKOZIDPAKGBATKX-UHFFFAOYSA-N
MW318.19 g/mol
LogP3.22
Rot. Bonds7

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

N-(6-bromohexyl)-2-fluoro-6-hydroxybenzamide (PubChem CID 114008519) has the molecular formula C13H17BrFNO2 and a molecular weight of 318.19 g/mol. Its IUPAC name is N-(6-bromohexyl)-2-fluoro-6-hydroxybenzamide.

Molecular Properties

Compound NameN-(6-bromohexyl)-2-fluoro-6-hydroxybenzamide
PubChem CID114008519
Molecular FormulaC13H17BrFNO2
Molecular Weight318.19 g/mol
Exact Mass317.04
IUPAC NameN-(6-bromohexyl)-2-fluoro-6-hydroxybenzamide
SMILESO=C(NCCCCCCBr)c1c(O)cccc1F
InChIInChI=1S/C13H17BrFNO2/c14-8-3-1-2-4-9-16-13(18)12-10(15)6-5-7-11(12)17/h5-7,17H,1-4,8-9H2,(H,16,18)
InChIKeyKOZIDPAKGBATKX-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

N-(3-bromopropyl)-2-fluoro-6-hydroxybenzamide
CID 107016848
N-(5-bromopentyl)-2-chloro-6-fluorobenzamide
CID 107321928
N-(5-chloropentyl)-2-fluoro-6-hydroxybenzamide
CID 107321513
4-[(2-fluoro-6-hydroxybenzoyl)amino]butanoic acid
CID 107013328
N-[3-(diethylamino)propyl]-2-fluoro-6-hydroxybenzamide
CID 104916525
N-(6-bromohexyl)-2,4,6-trifluorobenzamide
CID 107847891
N-(5-bromopentyl)-2-fluoro-3-methylbenzamide
CID 107322114
N-(2-chloroethyl)-2-fluoro-6-hydroxybenzamide
CID 107016788
N-(6-bromohexyl)-2-fluoro-4-hydroxybenzamide
CID 107847909
N-(3-ethoxypropyl)-2-fluoro-6-hydroxybenzamide
CID 104916529
N-(4-bromobutyl)-2,3,4-trifluorobenzamide
CID 106845799
2,6-difluoro-N-(3-hydroxypropyl)benzamide
CID 5203738

Frequently Asked Questions

What is the IUPAC name of N-(6-bromohexyl)-2-fluoro-6-hydroxybenzamide?
The IUPAC name of N-(6-bromohexyl)-2-fluoro-6-hydroxybenzamide (CID 114008519) is N-(6-bromohexyl)-2-fluoro-6-hydroxybenzamide.
What is the SMILES notation for N-(6-bromohexyl)-2-fluoro-6-hydroxybenzamide?
The canonical SMILES for N-(6-bromohexyl)-2-fluoro-6-hydroxybenzamide is O=C(NCCCCCCBr)c1c(O)cccc1F.
What is the InChIKey of N-(6-bromohexyl)-2-fluoro-6-hydroxybenzamide?
The InChIKey is KOZIDPAKGBATKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFNO2/c14-8-3-1-2-4-9-16-13(18)12-10(15)6-5-7-11(12)17/h5-7,17H,1-4,8-9H2,(H,16,18).
What are the key properties of N-(6-bromohexyl)-2-fluoro-6-hydroxybenzamide?
N-(6-bromohexyl)-2-fluoro-6-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-6-hydroxybenzamide is sourced from PubChem (CID 114008519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).