2,3,4-trifluoro-N-(5-hydroxypentyl)benzamide

C12H14F3NO2 — CID 108797326

IUPAC2,3,4-trifluoro-N-(5-hydroxypentyl)benzamide
SMILESO=C(NCCCCCO)c1ccc(F)c(F)c1F
InChIInChI=1S/C12H14F3NO2/c13-9-5-4-8(10(14)11(9)15)12(18)16-6-2-1-3-7-17/h4-5,17H,1-3,6-7H2,(H,16,18)
InChIKeyZKEAEARMGHRFFL-UHFFFAOYSA-N
MW261.24 g/mol
LogP2.00
Rot. Bonds6

About 2,3,4-trifluoro-N-(5-hydroxypentyl)benzamide

2,3,4-trifluoro-N-(5-hydroxypentyl)benzamide (PubChem CID 108797326) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-(5-hydroxypentyl)benzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-(5-hydroxypentyl)benzamide
PubChem CID108797326
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Name2,3,4-trifluoro-N-(5-hydroxypentyl)benzamide
SMILESO=C(NCCCCCO)c1ccc(F)c(F)c1F
InChIInChI=1S/C12H14F3NO2/c13-9-5-4-8(10(14)11(9)15)12(18)16-6-2-1-3-7-17/h4-5,17H,1-3,6-7H2,(H,16,18)
InChIKeyZKEAEARMGHRFFL-UHFFFAOYSA-N
XLogP2.00
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2,3,4-trifluoro-N-(6-iodohexyl)benzamide
CID 107848024
7-[(2,3,4-trifluorobenzoyl)amino]heptanoic acid
CID 79757091
N-(4-chlorobutyl)-2,3,4-trifluorobenzamide
CID 106845363
N-(4-bromobutyl)-2,3,4-trifluorobenzamide
CID 106845799
N-(4-cyanobutyl)-2,3,4-trifluorobenzamide
CID 79749440
N-(2-bromoethyl)-2,3,4-trifluorobenzamide
CID 79749872
2-fluoro-N-(6-hydroxyhexyl)-3-methylbenzamide
CID 113351832
4-bromo-2-fluoro-N-(4-hydroxybutyl)benzamide
CID 106842307
2-bromo-3-fluoro-N-(5-hydroxypentyl)benzamide
CID 107317884
4,5-difluoro-2-(5-hydroxypentylcarbamoyl)benzoic acid
CID 107316553
2-bromo-4-chloro-N-(5-hydroxypentyl)benzamide
CID 107342949
3-fluoro-N-(5-hydroxypentyl)pyridine-4-carboxamide
CID 107317148

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-(5-hydroxypentyl)benzamide?
The IUPAC name of 2,3,4-trifluoro-N-(5-hydroxypentyl)benzamide (CID 108797326) is 2,3,4-trifluoro-N-(5-hydroxypentyl)benzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-(5-hydroxypentyl)benzamide?
The canonical SMILES for 2,3,4-trifluoro-N-(5-hydroxypentyl)benzamide is O=C(NCCCCCO)c1ccc(F)c(F)c1F.
What is the InChIKey of 2,3,4-trifluoro-N-(5-hydroxypentyl)benzamide?
The InChIKey is ZKEAEARMGHRFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c13-9-5-4-8(10(14)11(9)15)12(18)16-6-2-1-3-7-17/h4-5,17H,1-3,6-7H2,(H,16,18).
What are the key properties of 2,3,4-trifluoro-N-(5-hydroxypentyl)benzamide?
2,3,4-trifluoro-N-(5-hydroxypentyl)benzamide has a molecular weight of 261.24 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-(5-hydroxypentyl)benzamide is sourced from PubChem (CID 108797326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).