4-bromo-N-(6-hydroxyhexyl)-2-(trifluoromethyl)benzamide

C14H17BrF3NO2 — CID 103925383

IUPAC4-bromo-N-(6-hydroxyhexyl)-2-(trifluoromethyl)benzamide
SMILESO=C(NCCCCCCO)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C14H17BrF3NO2/c15-10-5-6-11(12(9-10)14(16,17)18)13(21)19-7-3-1-2-4-8-20/h5-6,9,20H,1-4,7-8H2,(H,19,21)
InChIKeyXIHUJXVBPIFWMP-UHFFFAOYSA-N
MW368.19 g/mol
LogP3.75
Rot. Bonds7

About 4-bromo-N-(6-hydroxyhexyl)-2-(trifluoromethyl)benzamide

4-bromo-N-(6-hydroxyhexyl)-2-(trifluoromethyl)benzamide (PubChem CID 103925383) has the molecular formula C14H17BrF3NO2 and a molecular weight of 368.19 g/mol. Its IUPAC name is 4-bromo-N-(6-hydroxyhexyl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(6-hydroxyhexyl)-2-(trifluoromethyl)benzamide
PubChem CID103925383
Molecular FormulaC14H17BrF3NO2
Molecular Weight368.19 g/mol
Exact Mass367.04
IUPAC Name4-bromo-N-(6-hydroxyhexyl)-2-(trifluoromethyl)benzamide
SMILESO=C(NCCCCCCO)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C14H17BrF3NO2/c15-10-5-6-11(12(9-10)14(16,17)18)13(21)19-7-3-1-2-4-8-20/h5-6,9,20H,1-4,7-8H2,(H,19,21)
InChIKeyXIHUJXVBPIFWMP-UHFFFAOYSA-N
XLogP3.75
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.19
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-(2-iodoethyl)-2-(trifluoromethyl)benzamide
CID 107333591
4-bromo-2-fluoro-N-(4-hydroxybutyl)benzamide
CID 106842307
4-bromo-2-chloro-N-(5-hydroxypentyl)benzamide
CID 107319112
4-bromo-N-(2-methylsulfanylethyl)-2-(trifluoromethyl)benzamide
CID 113352612
4-bromo-N-[2-(ethylamino)ethyl]-2-(trifluoromethyl)benzamide
CID 107333120
N-(3-aminobutyl)-4-bromo-2-(trifluoromethyl)benzamide
CID 107333127
4-bromo-N-(2-ethylsulfinylethyl)-2-(trifluoromethyl)benzamide
CID 103925011
4-bromo-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(trifluoromethyl)benzamide
CID 104957576
4-bromo-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(trifluoromethyl)benzamide
CID 103925334
4-bromo-N-(3-methylsulfinylbutyl)-2-(trifluoromethyl)benzamide
CID 103925344
4-bromo-N-(2-but-3-enoxyethyl)-2-(trifluoromethyl)benzamide
CID 103925091
4-bromo-N-(2-ethoxy-2-methylpropyl)-2-(trifluoromethyl)benzamide
CID 105343037

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(6-hydroxyhexyl)-2-(trifluoromethyl)benzamide?
The IUPAC name of 4-bromo-N-(6-hydroxyhexyl)-2-(trifluoromethyl)benzamide (CID 103925383) is 4-bromo-N-(6-hydroxyhexyl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-bromo-N-(6-hydroxyhexyl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for 4-bromo-N-(6-hydroxyhexyl)-2-(trifluoromethyl)benzamide is O=C(NCCCCCCO)c1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of 4-bromo-N-(6-hydroxyhexyl)-2-(trifluoromethyl)benzamide?
The InChIKey is XIHUJXVBPIFWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrF3NO2/c15-10-5-6-11(12(9-10)14(16,17)18)13(21)19-7-3-1-2-4-8-20/h5-6,9,20H,1-4,7-8H2,(H,19,21).
What are the key properties of 4-bromo-N-(6-hydroxyhexyl)-2-(trifluoromethyl)benzamide?
4-bromo-N-(6-hydroxyhexyl)-2-(trifluoromethyl)benzamide has a molecular weight of 368.19 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(6-hydroxyhexyl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 103925383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).