N-(3-acetylphenyl)-2,3,4,5,6-pentafluorobenzamide

C15H8F5NO2 — CID 2169834

IUPACN-(3-acetylphenyl)-2,3,4,5,6-pentafluorobenzamide
SMILESCC(=O)c1cccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)c1
InChIInChI=1S/C15H8F5NO2/c1-6(22)7-3-2-4-8(5-7)21-15(23)9-10(16)12(18)14(20)13(19)11(9)17/h2-5H,1H3,(H,21,23)
InChIKeyPYZOOCLHHPPUGM-UHFFFAOYSA-N
MW329.22 g/mol
LogP3.84
Rot. Bonds3

About N-(3-acetylphenyl)-2,3,4,5,6-pentafluorobenzamide

N-(3-acetylphenyl)-2,3,4,5,6-pentafluorobenzamide (PubChem CID 2169834) has the molecular formula C15H8F5NO2 and a molecular weight of 329.22 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2,3,4,5,6-pentafluorobenzamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2,3,4,5,6-pentafluorobenzamide
PubChem CID2169834
Molecular FormulaC15H8F5NO2
Molecular Weight329.22 g/mol
Exact Mass329.05
IUPAC NameN-(3-acetylphenyl)-2,3,4,5,6-pentafluorobenzamide
SMILESCC(=O)c1cccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)c1
InChIInChI=1S/C15H8F5NO2/c1-6(22)7-3-2-4-8(5-7)21-15(23)9-10(16)12(18)14(20)13(19)11(9)17/h2-5H,1H3,(H,21,23)
InChIKeyPYZOOCLHHPPUGM-UHFFFAOYSA-N
XLogP3.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.22
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2,3,4,5,6-pentafluorobenzamide?
The IUPAC name of N-(3-acetylphenyl)-2,3,4,5,6-pentafluorobenzamide (CID 2169834) is N-(3-acetylphenyl)-2,3,4,5,6-pentafluorobenzamide.
What is the SMILES notation for N-(3-acetylphenyl)-2,3,4,5,6-pentafluorobenzamide?
The canonical SMILES for N-(3-acetylphenyl)-2,3,4,5,6-pentafluorobenzamide is CC(=O)c1cccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)c1.
What is the InChIKey of N-(3-acetylphenyl)-2,3,4,5,6-pentafluorobenzamide?
The InChIKey is PYZOOCLHHPPUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F5NO2/c1-6(22)7-3-2-4-8(5-7)21-15(23)9-10(16)12(18)14(20)13(19)11(9)17/h2-5H,1H3,(H,21,23).
What are the key properties of N-(3-acetylphenyl)-2,3,4,5,6-pentafluorobenzamide?
N-(3-acetylphenyl)-2,3,4,5,6-pentafluorobenzamide has a molecular weight of 329.22 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2,3,4,5,6-pentafluorobenzamide is sourced from PubChem (CID 2169834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).