N-(6-bromohexyl)-2,4,6-trifluorobenzamide

C13H15BrF3NO — CID 107847891

IUPACN-(6-bromohexyl)-2,4,6-trifluorobenzamide
SMILESO=C(NCCCCCCBr)c1c(F)cc(F)cc1F
InChIInChI=1S/C13H15BrF3NO/c14-5-3-1-2-4-6-18-13(19)12-10(16)7-9(15)8-11(12)17/h7-8H,1-6H2,(H,18,19)
InChIKeyICLXHKBZQUVUGB-UHFFFAOYSA-N
MW338.17 g/mol
LogP3.79
Rot. Bonds7

About N-(6-bromohexyl)-2,4,6-trifluorobenzamide

N-(6-bromohexyl)-2,4,6-trifluorobenzamide (PubChem CID 107847891) has the molecular formula C13H15BrF3NO and a molecular weight of 338.17 g/mol. Its IUPAC name is N-(6-bromohexyl)-2,4,6-trifluorobenzamide.

Molecular Properties

Compound NameN-(6-bromohexyl)-2,4,6-trifluorobenzamide
PubChem CID107847891
Molecular FormulaC13H15BrF3NO
Molecular Weight338.17 g/mol
Exact Mass337.03
IUPAC NameN-(6-bromohexyl)-2,4,6-trifluorobenzamide
SMILESO=C(NCCCCCCBr)c1c(F)cc(F)cc1F
InChIInChI=1S/C13H15BrF3NO/c14-5-3-1-2-4-6-18-13(19)12-10(16)7-9(15)8-11(12)17/h7-8H,1-6H2,(H,18,19)
InChIKeyICLXHKBZQUVUGB-UHFFFAOYSA-N
XLogP3.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.17
LogP ≤ 53.79
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

2,4,6-trifluoro-N-(5-iodopentyl)benzamide
CID 107322261
N-(6-bromohexyl)-2-fluoro-6-hydroxybenzamide
CID 114008519
2,4,6-trifluoro-N-propylbenzamide
CID 65100176
N-(5-bromopentyl)-2-chloro-6-fluorobenzamide
CID 107321928
2,4,6-trifluoro-N-(3-sulfamoylpropyl)benzamide
CID 65100894
ethyl 4-[(2,4,6-trifluorobenzoyl)amino]butanoate
CID 65100634
2-bromo-N-(5-bromopentyl)-5-fluorobenzamide
CID 107322000
N-(6-bromohexyl)-3-fluoro-4-methylbenzamide
CID 107847799
N-(5-bromopentyl)-2,4-difluoro-5-methylbenzamide
CID 107322118
4-bromo-N-(6-bromohexyl)-2-fluorobenzamide
CID 114008594
N-(6-bromohexyl)-2-fluoro-4-hydroxybenzamide
CID 107847909
2,4,6-trifluoro-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103861933

Frequently Asked Questions

What is the IUPAC name of N-(6-bromohexyl)-2,4,6-trifluorobenzamide?
The IUPAC name of N-(6-bromohexyl)-2,4,6-trifluorobenzamide (CID 107847891) is N-(6-bromohexyl)-2,4,6-trifluorobenzamide.
What is the SMILES notation for N-(6-bromohexyl)-2,4,6-trifluorobenzamide?
The canonical SMILES for N-(6-bromohexyl)-2,4,6-trifluorobenzamide is O=C(NCCCCCCBr)c1c(F)cc(F)cc1F.
What is the InChIKey of N-(6-bromohexyl)-2,4,6-trifluorobenzamide?
The InChIKey is ICLXHKBZQUVUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrF3NO/c14-5-3-1-2-4-6-18-13(19)12-10(16)7-9(15)8-11(12)17/h7-8H,1-6H2,(H,18,19).
What are the key properties of N-(6-bromohexyl)-2,4,6-trifluorobenzamide?
N-(6-bromohexyl)-2,4,6-trifluorobenzamide has a molecular weight of 338.17 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromohexyl)-2,4,6-trifluorobenzamide is sourced from PubChem (CID 107847891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).