2,4,6-trifluoro-N-(5-hydroxypentyl)-N-methylbenzamide

C13H16F3NO2 — CID 107202076

IUPAC2,4,6-trifluoro-N-(5-hydroxypentyl)-N-methylbenzamide
SMILESCN(CCCCCO)C(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C13H16F3NO2/c1-17(5-3-2-4-6-18)13(19)12-10(15)7-9(14)8-11(12)16/h7-8,18H,2-6H2,1H3
InChIKeySEKXBZDNCDWCLM-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.34
Rot. Bonds6

About 2,4,6-trifluoro-N-(5-hydroxypentyl)-N-methylbenzamide

2,4,6-trifluoro-N-(5-hydroxypentyl)-N-methylbenzamide (PubChem CID 107202076) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is 2,4,6-trifluoro-N-(5-hydroxypentyl)-N-methylbenzamide.

Molecular Properties

Compound Name2,4,6-trifluoro-N-(5-hydroxypentyl)-N-methylbenzamide
PubChem CID107202076
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Name2,4,6-trifluoro-N-(5-hydroxypentyl)-N-methylbenzamide
SMILESCN(CCCCCO)C(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C13H16F3NO2/c1-17(5-3-2-4-6-18)13(19)12-10(15)7-9(14)8-11(12)16/h7-8,18H,2-6H2,1H3
InChIKeySEKXBZDNCDWCLM-UHFFFAOYSA-N
XLogP2.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyanoethyl)-2,4,6-trifluoro-N-methylbenzamide
CID 65098629
2,6-dihydroxy-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107329756
4-fluoro-N-(5-hydroxypentyl)-N,2-dimethylbenzamide
CID 107199071
5-fluoro-2-hydroxy-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107200248
5-amino-2,4-difluoro-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107197364
2,4-dichloro-5-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107202624
3-bromo-4-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107300854
5-amino-2-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107197368
2-fluoro-N-(5-hydroxypentyl)-N-methylpyridine-4-carboxamide
CID 107199083
2-amino-5-fluoro-N-(5-hydroxypentyl)-N-methyl-3-nitrobenzamide
CID 107201138
N-(3-aminopropyl)-N-ethyl-2,4,6-trifluorobenzamide
CID 65101704
5-amino-2-fluoro-N-(5-hydroxypentyl)-N,3-dimethylbenzamide
CID 107197446

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trifluoro-N-(5-hydroxypentyl)-N-methylbenzamide?
The IUPAC name of 2,4,6-trifluoro-N-(5-hydroxypentyl)-N-methylbenzamide (CID 107202076) is 2,4,6-trifluoro-N-(5-hydroxypentyl)-N-methylbenzamide.
What is the SMILES notation for 2,4,6-trifluoro-N-(5-hydroxypentyl)-N-methylbenzamide?
The canonical SMILES for 2,4,6-trifluoro-N-(5-hydroxypentyl)-N-methylbenzamide is CN(CCCCCO)C(=O)c1c(F)cc(F)cc1F.
What is the InChIKey of 2,4,6-trifluoro-N-(5-hydroxypentyl)-N-methylbenzamide?
The InChIKey is SEKXBZDNCDWCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-17(5-3-2-4-6-18)13(19)12-10(15)7-9(14)8-11(12)16/h7-8,18H,2-6H2,1H3.
What are the key properties of 2,4,6-trifluoro-N-(5-hydroxypentyl)-N-methylbenzamide?
2,4,6-trifluoro-N-(5-hydroxypentyl)-N-methylbenzamide has a molecular weight of 275.27 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trifluoro-N-(5-hydroxypentyl)-N-methylbenzamide is sourced from PubChem (CID 107202076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).