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

C12H15BrFNO2 — CID 107016983

IUPACN-(2-bromopentyl)-2-fluoro-6-hydroxybenzamide
SMILESCCCC(Br)CNC(=O)c1c(O)cccc1F
InChIInChI=1S/C12H15BrFNO2/c1-2-4-8(13)7-15-12(17)11-9(14)5-3-6-10(11)16/h3,5-6,8,16H,2,4,7H2,1H3,(H,15,17)
InChIKeyILDSPXICNRBQET-UHFFFAOYSA-N
MW304.16 g/mol
LogP2.82
Rot. Bonds5

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

N-(2-bromopentyl)-2-fluoro-6-hydroxybenzamide (PubChem CID 107016983) has the molecular formula C12H15BrFNO2 and a molecular weight of 304.16 g/mol. Its IUPAC name is N-(2-bromopentyl)-2-fluoro-6-hydroxybenzamide.

Molecular Properties

Compound NameN-(2-bromopentyl)-2-fluoro-6-hydroxybenzamide
PubChem CID107016983
Molecular FormulaC12H15BrFNO2
Molecular Weight304.16 g/mol
Exact Mass303.03
IUPAC NameN-(2-bromopentyl)-2-fluoro-6-hydroxybenzamide
SMILESCCCC(Br)CNC(=O)c1c(O)cccc1F
InChIInChI=1S/C12H15BrFNO2/c1-2-4-8(13)7-15-12(17)11-9(14)5-3-6-10(11)16/h3,5-6,8,16H,2,4,7H2,1H3,(H,15,17)
InChIKeyILDSPXICNRBQET-UHFFFAOYSA-N
XLogP2.82
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.16
LogP ≤ 52.82
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-(2-bromopentyl)-2-fluoro-6-methoxybenzamide
CID 113496506
N-(2-chloropentyl)-2-fluoro-6-hydroxybenzamide
CID 107016981
N-[2-(2-bromoethyl)pentyl]-2-fluoro-6-hydroxybenzamide
CID 106117986
2-fluoro-6-hydroxy-N-[(2R)-2-hydroxypropyl]benzamide
CID 104920570
N-(2,2-difluoroethyl)-2-fluoro-6-hydroxybenzamide
CID 104917965
2-fluoro-6-hydroxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 107015409
N-(4-chloro-2-methylbutyl)-2-fluoro-6-hydroxybenzamide
CID 107016840
N-[2-(2-bromoethyl)pentyl]-2,6-difluorobenzamide
CID 106117950
N-(3-amino-2-methylpropyl)-2-fluoro-6-hydroxybenzamide
CID 107012883
2-fluoro-6-hydroxy-N-(2,3,3-trimethylbutyl)benzamide
CID 104917625
N-(2-aminopentyl)-2,6-dihydroxybenzamide
CID 107691454
2-fluoro-6-hydroxy-N-(2-hydroxy-2-phenylethyl)benzamide
CID 104920211

Frequently Asked Questions

What is the IUPAC name of N-(2-bromopentyl)-2-fluoro-6-hydroxybenzamide?
The IUPAC name of N-(2-bromopentyl)-2-fluoro-6-hydroxybenzamide (CID 107016983) is N-(2-bromopentyl)-2-fluoro-6-hydroxybenzamide.
What is the SMILES notation for N-(2-bromopentyl)-2-fluoro-6-hydroxybenzamide?
The canonical SMILES for N-(2-bromopentyl)-2-fluoro-6-hydroxybenzamide is CCCC(Br)CNC(=O)c1c(O)cccc1F.
What is the InChIKey of N-(2-bromopentyl)-2-fluoro-6-hydroxybenzamide?
The InChIKey is ILDSPXICNRBQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO2/c1-2-4-8(13)7-15-12(17)11-9(14)5-3-6-10(11)16/h3,5-6,8,16H,2,4,7H2,1H3,(H,15,17).
What are the key properties of N-(2-bromopentyl)-2-fluoro-6-hydroxybenzamide?
N-(2-bromopentyl)-2-fluoro-6-hydroxybenzamide has a molecular weight of 304.16 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromopentyl)-2-fluoro-6-hydroxybenzamide is sourced from PubChem (CID 107016983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).