2,4,6-trifluoro-N-(5-hydroxy-4-methylpentyl)benzamide

C13H16F3NO2 — CID 103861933

IUPAC2,4,6-trifluoro-N-(5-hydroxy-4-methylpentyl)benzamide
SMILESCC(CO)CCCNC(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C13H16F3NO2/c1-8(7-18)3-2-4-17-13(19)12-10(15)5-9(14)6-11(12)16/h5-6,8,18H,2-4,7H2,1H3,(H,17,19)
InChIKeyONALIKXIQHAXJQ-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.24
Rot. Bonds6

About 2,4,6-trifluoro-N-(5-hydroxy-4-methylpentyl)benzamide

2,4,6-trifluoro-N-(5-hydroxy-4-methylpentyl)benzamide (PubChem CID 103861933) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is 2,4,6-trifluoro-N-(5-hydroxy-4-methylpentyl)benzamide.

Molecular Properties

Compound Name2,4,6-trifluoro-N-(5-hydroxy-4-methylpentyl)benzamide
PubChem CID103861933
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Name2,4,6-trifluoro-N-(5-hydroxy-4-methylpentyl)benzamide
SMILESCC(CO)CCCNC(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C13H16F3NO2/c1-8(7-18)3-2-4-17-13(19)12-10(15)5-9(14)6-11(12)16/h5-6,8,18H,2-4,7H2,1H3,(H,17,19)
InChIKeyONALIKXIQHAXJQ-UHFFFAOYSA-N
XLogP2.24
TPSA49.33 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 ≤ 52.24
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

3,4,5-trifluoro-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103861735
2,4,6-trifluoro-N-(3-hydroxy-4-methylpentyl)benzamide
CID 111460515
4-fluoro-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103862038
3,4-difluoro-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103861935
N-(3-aminobutyl)-2,4,6-trifluorobenzamide;hydrochloride
CID 119497329
2,6-dihydroxy-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103890698
2,4,6-trifluoro-N-(4-hydroxy-2-methylbutyl)benzamide
CID 66108784
3-fluoro-N-(5-hydroxy-4-methylpentyl)-5-nitrobenzamide
CID 103862016
2-(2-fluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide
CID 113340863
2,4,6-trifluoro-N-propylbenzamide
CID 65100176
2-(4-fluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide
CID 103861403
2-(2,3-difluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide
CID 103862391

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trifluoro-N-(5-hydroxy-4-methylpentyl)benzamide?
The IUPAC name of 2,4,6-trifluoro-N-(5-hydroxy-4-methylpentyl)benzamide (CID 103861933) is 2,4,6-trifluoro-N-(5-hydroxy-4-methylpentyl)benzamide.
What is the SMILES notation for 2,4,6-trifluoro-N-(5-hydroxy-4-methylpentyl)benzamide?
The canonical SMILES for 2,4,6-trifluoro-N-(5-hydroxy-4-methylpentyl)benzamide is CC(CO)CCCNC(=O)c1c(F)cc(F)cc1F.
What is the InChIKey of 2,4,6-trifluoro-N-(5-hydroxy-4-methylpentyl)benzamide?
The InChIKey is ONALIKXIQHAXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-8(7-18)3-2-4-17-13(19)12-10(15)5-9(14)6-11(12)16/h5-6,8,18H,2-4,7H2,1H3,(H,17,19).
What are the key properties of 2,4,6-trifluoro-N-(5-hydroxy-4-methylpentyl)benzamide?
2,4,6-trifluoro-N-(5-hydroxy-4-methylpentyl)benzamide has a molecular weight of 275.27 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trifluoro-N-(5-hydroxy-4-methylpentyl)benzamide is sourced from PubChem (CID 103861933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).