4-bromo-N-(6-bromohexyl)-2-fluorobenzamide

C13H16Br2FNO — CID 114008594

IUPAC4-bromo-N-(6-bromohexyl)-2-fluorobenzamide
SMILESO=C(NCCCCCCBr)c1ccc(Br)cc1F
InChIInChI=1S/C13H16Br2FNO/c14-7-3-1-2-4-8-17-13(18)11-6-5-10(15)9-12(11)16/h5-6,9H,1-4,7-8H2,(H,17,18)
InChIKeyHTMBIMUIKWVFEA-UHFFFAOYSA-N
MW381.08 g/mol
LogP4.27
Rot. Bonds7

About 4-bromo-N-(6-bromohexyl)-2-fluorobenzamide

4-bromo-N-(6-bromohexyl)-2-fluorobenzamide (PubChem CID 114008594) has the molecular formula C13H16Br2FNO and a molecular weight of 381.08 g/mol. Its IUPAC name is 4-bromo-N-(6-bromohexyl)-2-fluorobenzamide.

Molecular Properties

Compound Name4-bromo-N-(6-bromohexyl)-2-fluorobenzamide
PubChem CID114008594
Molecular FormulaC13H16Br2FNO
Molecular Weight381.08 g/mol
Exact Mass378.96
IUPAC Name4-bromo-N-(6-bromohexyl)-2-fluorobenzamide
SMILESO=C(NCCCCCCBr)c1ccc(Br)cc1F
InChIInChI=1S/C13H16Br2FNO/c14-7-3-1-2-4-8-17-13(18)11-6-5-10(15)9-12(11)16/h5-6,9H,1-4,7-8H2,(H,17,18)
InChIKeyHTMBIMUIKWVFEA-UHFFFAOYSA-N
XLogP4.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.08
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(5-chloropentyl)-2-fluorobenzamide
CID 107321212
4-bromo-2-fluoro-N-(4-hydroxybutyl)benzamide
CID 106842307
N-(6-bromohexyl)-2-fluoro-4-hydroxybenzamide
CID 107847909
4-bromo-N-(3-chloropropyl)-2-fluorobenzamide
CID 43133463
4-bromo-N-(6-bromohexyl)-2-methylbenzamide
CID 107847484
4-bromo-2-fluoro-N-(3-methoxypropyl)benzamide
CID 43090254
N-(4-bromobutyl)-2,3,4-trifluorobenzamide
CID 106845799
4-bromo-N-(3-ethoxypropyl)-2-fluorobenzamide
CID 24691532
N-(3-azidopropyl)-4-bromo-2-fluorobenzamide
CID 61344699
2-bromo-N-(5-bromopentyl)-5-fluorobenzamide
CID 107322000
2-bromo-N-(4-bromobutyl)-4-fluorobenzamide
CID 106845591
4-bromo-2-fluoro-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 60674522

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(6-bromohexyl)-2-fluorobenzamide?
The IUPAC name of 4-bromo-N-(6-bromohexyl)-2-fluorobenzamide (CID 114008594) is 4-bromo-N-(6-bromohexyl)-2-fluorobenzamide.
What is the SMILES notation for 4-bromo-N-(6-bromohexyl)-2-fluorobenzamide?
The canonical SMILES for 4-bromo-N-(6-bromohexyl)-2-fluorobenzamide is O=C(NCCCCCCBr)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-N-(6-bromohexyl)-2-fluorobenzamide?
The InChIKey is HTMBIMUIKWVFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Br2FNO/c14-7-3-1-2-4-8-17-13(18)11-6-5-10(15)9-12(11)16/h5-6,9H,1-4,7-8H2,(H,17,18).
What are the key properties of 4-bromo-N-(6-bromohexyl)-2-fluorobenzamide?
4-bromo-N-(6-bromohexyl)-2-fluorobenzamide has a molecular weight of 381.08 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(6-bromohexyl)-2-fluorobenzamide is sourced from PubChem (CID 114008594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).