N-acetyl-2,3,4,5,6-pentafluorobenzamide

C9H4F5NO2 — CID 154547448

IUPACN-acetyl-2,3,4,5,6-pentafluorobenzamide
SMILESCC(=O)NC(=O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C9H4F5NO2/c1-2(16)15-9(17)3-4(10)6(12)8(14)7(13)5(3)11/h1H3,(H,15,16,17)
InChIKeySFRXRIJFHBUEOI-UHFFFAOYSA-N
MW253.13 g/mol
LogP1.66
Rot. Bonds1

About N-acetyl-2,3,4,5,6-pentafluorobenzamide

N-acetyl-2,3,4,5,6-pentafluorobenzamide (PubChem CID 154547448) has the molecular formula C9H4F5NO2 and a molecular weight of 253.13 g/mol. Its IUPAC name is N-acetyl-2,3,4,5,6-pentafluorobenzamide.

Molecular Properties

Compound NameN-acetyl-2,3,4,5,6-pentafluorobenzamide
PubChem CID154547448
Molecular FormulaC9H4F5NO2
Molecular Weight253.13 g/mol
Exact Mass253.02
IUPAC NameN-acetyl-2,3,4,5,6-pentafluorobenzamide
SMILESCC(=O)NC(=O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C9H4F5NO2/c1-2(16)15-9(17)3-4(10)6(12)8(14)7(13)5(3)11/h1H3,(H,15,16,17)
InChIKeySFRXRIJFHBUEOI-UHFFFAOYSA-N
XLogP1.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.13
LogP ≤ 51.66
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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Related Compounds

N-acetyl-2,6-difluorobenzamide
CID 2805165
N-[(4-acetamidophenyl)carbamothioyl]-2,3,5,6-tetrafluoro-4-methoxybenzamide
CID 22776426
2,3,4,5,6-pentafluoro-N-prop-2-ynylbenzamide
CID 60697788
N-(3,3-dimethyl-2-oxobutyl)-2,3,4,5,6-pentafluorobenzamide
CID 64991463
(2S)-3-methyl-2-[(2,3,4,5,6-pentafluorobenzoyl)amino]butanoic acid
CID 61136274
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,3,4,5,6-pentafluorobenzamide
CID 5050206
N-(2-ethyl-2-hydroxybutyl)-2,3,4,5,6-pentafluorobenzamide
CID 65113934
1-(2-acetyl-6-amino-3,4,5-trifluorophenyl)ethanone
CID 87737254
2,3,4,5,6-pentafluoro(13C)benzoic acid
CID 171380486
1,3-bis(2,3,4,5,6-pentafluorophenyl)propane-1,3-dione;copper
CID 159338327
2,3,4,5,6-pentafluoro-N-[[4-[[(2,3,4,5,6-pentafluorobenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 4597287
N-acetyl-2-fluoro-5-methylbenzamide
CID 62511698

Frequently Asked Questions

What is the IUPAC name of N-acetyl-2,3,4,5,6-pentafluorobenzamide?
The IUPAC name of N-acetyl-2,3,4,5,6-pentafluorobenzamide (CID 154547448) is N-acetyl-2,3,4,5,6-pentafluorobenzamide.
What is the SMILES notation for N-acetyl-2,3,4,5,6-pentafluorobenzamide?
The canonical SMILES for N-acetyl-2,3,4,5,6-pentafluorobenzamide is CC(=O)NC(=O)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of N-acetyl-2,3,4,5,6-pentafluorobenzamide?
The InChIKey is SFRXRIJFHBUEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F5NO2/c1-2(16)15-9(17)3-4(10)6(12)8(14)7(13)5(3)11/h1H3,(H,15,16,17).
What are the key properties of N-acetyl-2,3,4,5,6-pentafluorobenzamide?
N-acetyl-2,3,4,5,6-pentafluorobenzamide has a molecular weight of 253.13 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-2,3,4,5,6-pentafluorobenzamide is sourced from PubChem (CID 154547448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).