2-(5-hydroxypentyl)-6-(trifluoromethyl)benzamide

C13H16F3NO2 — CID 70888105

IUPAC2-(5-hydroxypentyl)-6-(trifluoromethyl)benzamide
SMILESNC(=O)c1c(CCCCCO)cccc1C(F)(F)F
InChIInChI=1S/C13H16F3NO2/c14-13(15,16)10-7-4-6-9(11(10)12(17)19)5-2-1-3-8-18/h4,6-7,18H,1-3,5,8H2,(H2,17,19)
InChIKeyLROSKLDEXSFEQC-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.51
Rot. Bonds6

About 2-(5-hydroxypentyl)-6-(trifluoromethyl)benzamide

2-(5-hydroxypentyl)-6-(trifluoromethyl)benzamide (PubChem CID 70888105) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is 2-(5-hydroxypentyl)-6-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-(5-hydroxypentyl)-6-(trifluoromethyl)benzamide
PubChem CID70888105
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Name2-(5-hydroxypentyl)-6-(trifluoromethyl)benzamide
SMILESNC(=O)c1c(CCCCCO)cccc1C(F)(F)F
InChIInChI=1S/C13H16F3NO2/c14-13(15,16)10-7-4-6-9(11(10)12(17)19)5-2-1-3-8-18/h4,6-7,18H,1-3,5,8H2,(H2,17,19)
InChIKeyLROSKLDEXSFEQC-UHFFFAOYSA-N
XLogP2.51
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.51
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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Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxypentyl)-6-(trifluoromethyl)benzamide?
The IUPAC name of 2-(5-hydroxypentyl)-6-(trifluoromethyl)benzamide (CID 70888105) is 2-(5-hydroxypentyl)-6-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-(5-hydroxypentyl)-6-(trifluoromethyl)benzamide?
The canonical SMILES for 2-(5-hydroxypentyl)-6-(trifluoromethyl)benzamide is NC(=O)c1c(CCCCCO)cccc1C(F)(F)F.
What is the InChIKey of 2-(5-hydroxypentyl)-6-(trifluoromethyl)benzamide?
The InChIKey is LROSKLDEXSFEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c14-13(15,16)10-7-4-6-9(11(10)12(17)19)5-2-1-3-8-18/h4,6-7,18H,1-3,5,8H2,(H2,17,19).
What are the key properties of 2-(5-hydroxypentyl)-6-(trifluoromethyl)benzamide?
2-(5-hydroxypentyl)-6-(trifluoromethyl)benzamide has a molecular weight of 275.27 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxypentyl)-6-(trifluoromethyl)benzamide is sourced from PubChem (CID 70888105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).