N-dibenzofuran-3-yl-2,3,4,5,6-pentafluorobenzamide

C19H8F5NO2 — CID 2200914

IUPACN-dibenzofuran-3-yl-2,3,4,5,6-pentafluorobenzamide
SMILESO=C(Nc1ccc2c(c1)oc1ccccc12)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C19H8F5NO2/c20-14-13(15(21)17(23)18(24)16(14)22)19(26)25-8-5-6-10-9-3-1-2-4-11(9)27-12(10)7-8/h1-7H,(H,25,26)
InChIKeyDGTIXLRCYSILBW-UHFFFAOYSA-N
MW377.27 g/mol
LogP5.53
Rot. Bonds2

About N-dibenzofuran-3-yl-2,3,4,5,6-pentafluorobenzamide

N-dibenzofuran-3-yl-2,3,4,5,6-pentafluorobenzamide (PubChem CID 2200914) has the molecular formula C19H8F5NO2 and a molecular weight of 377.27 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-2,3,4,5,6-pentafluorobenzamide.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-2,3,4,5,6-pentafluorobenzamide
PubChem CID2200914
Molecular FormulaC19H8F5NO2
Molecular Weight377.27 g/mol
Exact Mass377.05
IUPAC NameN-dibenzofuran-3-yl-2,3,4,5,6-pentafluorobenzamide
SMILESO=C(Nc1ccc2c(c1)oc1ccccc12)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C19H8F5NO2/c20-14-13(15(21)17(23)18(24)16(14)22)19(26)25-8-5-6-10-9-3-1-2-4-11(9)27-12(10)7-8/h1-7H,(H,25,26)
InChIKeyDGTIXLRCYSILBW-UHFFFAOYSA-N
XLogP5.53
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.27
LogP ≤ 55.53
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-dibenzofuran-3-yl-2,3,4,5,6-pentafluorobenzamide?
The IUPAC name of N-dibenzofuran-3-yl-2,3,4,5,6-pentafluorobenzamide (CID 2200914) is N-dibenzofuran-3-yl-2,3,4,5,6-pentafluorobenzamide.
What is the SMILES notation for N-dibenzofuran-3-yl-2,3,4,5,6-pentafluorobenzamide?
The canonical SMILES for N-dibenzofuran-3-yl-2,3,4,5,6-pentafluorobenzamide is O=C(Nc1ccc2c(c1)oc1ccccc12)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of N-dibenzofuran-3-yl-2,3,4,5,6-pentafluorobenzamide?
The InChIKey is DGTIXLRCYSILBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H8F5NO2/c20-14-13(15(21)17(23)18(24)16(14)22)19(26)25-8-5-6-10-9-3-1-2-4-11(9)27-12(10)7-8/h1-7H,(H,25,26).
What are the key properties of N-dibenzofuran-3-yl-2,3,4,5,6-pentafluorobenzamide?
N-dibenzofuran-3-yl-2,3,4,5,6-pentafluorobenzamide has a molecular weight of 377.27 g/mol, XLogP of 5.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-2,3,4,5,6-pentafluorobenzamide is sourced from PubChem (CID 2200914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).