2,3,4-trifluoro-N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)benzamide

C14H18F3NO6 — CID 108797327

IUPAC2,3,4-trifluoro-N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)benzamide
SMILESCN(CC(O)C(O)C(O)C(O)CO)C(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H18F3NO6/c1-18(4-8(20)12(22)13(23)9(21)5-19)14(24)6-2-3-7(15)11(17)10(6)16/h2-3,8-9,12-13,19-23H,4-5H2,1H3
InChIKeyQLSVCABZVYGHKU-UHFFFAOYSA-N
MW353.29 g/mol
LogP-1.39
Rot. Bonds7

About 2,3,4-trifluoro-N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)benzamide

2,3,4-trifluoro-N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)benzamide (PubChem CID 108797327) has the molecular formula C14H18F3NO6 and a molecular weight of 353.29 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)benzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)benzamide
PubChem CID108797327
Molecular FormulaC14H18F3NO6
Molecular Weight353.29 g/mol
Exact Mass353.11
IUPAC Name2,3,4-trifluoro-N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)benzamide
SMILESCN(CC(O)C(O)C(O)C(O)CO)C(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H18F3NO6/c1-18(4-8(20)12(22)13(23)9(21)5-19)14(24)6-2-3-7(15)11(17)10(6)16/h2-3,8-9,12-13,19-23H,4-5H2,1H3
InChIKeyQLSVCABZVYGHKU-UHFFFAOYSA-N
XLogP-1.39
TPSA121.46 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.29
LogP ≤ 5-1.39
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)benzamide?
The IUPAC name of 2,3,4-trifluoro-N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)benzamide (CID 108797327) is 2,3,4-trifluoro-N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)benzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)benzamide?
The canonical SMILES for 2,3,4-trifluoro-N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)benzamide is CN(CC(O)C(O)C(O)C(O)CO)C(=O)c1ccc(F)c(F)c1F.
What is the InChIKey of 2,3,4-trifluoro-N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)benzamide?
The InChIKey is QLSVCABZVYGHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO6/c1-18(4-8(20)12(22)13(23)9(21)5-19)14(24)6-2-3-7(15)11(17)10(6)16/h2-3,8-9,12-13,19-23H,4-5H2,1H3.
What are the key properties of 2,3,4-trifluoro-N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)benzamide?
2,3,4-trifluoro-N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)benzamide has a molecular weight of 353.29 g/mol, XLogP of -1.39, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)benzamide is sourced from PubChem (CID 108797327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).