2,3,4,5,6-pentafluoro-N-pyrimidin-2-ylbenzamide

C11H4F5N3O — CID 5198526

IUPAC2,3,4,5,6-pentafluoro-N-pyrimidin-2-ylbenzamide
SMILESO=C(Nc1ncccn1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H4F5N3O/c12-5-4(6(13)8(15)9(16)7(5)14)10(20)19-11-17-2-1-3-18-11/h1-3H,(H,17,18,19,20)
InChIKeyPWGORYOUOXPPQV-UHFFFAOYSA-N
MW289.16 g/mol
LogP2.42
Rot. Bonds2

About 2,3,4,5,6-pentafluoro-N-pyrimidin-2-ylbenzamide

2,3,4,5,6-pentafluoro-N-pyrimidin-2-ylbenzamide (PubChem CID 5198526) has the molecular formula C11H4F5N3O and a molecular weight of 289.16 g/mol. Its IUPAC name is 2,3,4,5,6-pentafluoro-N-pyrimidin-2-ylbenzamide.

Molecular Properties

Compound Name2,3,4,5,6-pentafluoro-N-pyrimidin-2-ylbenzamide
PubChem CID5198526
Molecular FormulaC11H4F5N3O
Molecular Weight289.16 g/mol
Exact Mass289.03
IUPAC Name2,3,4,5,6-pentafluoro-N-pyrimidin-2-ylbenzamide
SMILESO=C(Nc1ncccn1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H4F5N3O/c12-5-4(6(13)8(15)9(16)7(5)14)10(20)19-11-17-2-1-3-18-11/h1-3H,(H,17,18,19,20)
InChIKeyPWGORYOUOXPPQV-UHFFFAOYSA-N
XLogP2.42
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2,3,4,5,6-pentafluoro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 2169475
4-fluoro-N-pyrimidin-2-ylbenzamide
CID 797393
N-pyrimidin-2-ylcarbamoyl fluoride
CID 58939190
N-pyrimidin-2-ylbenzamide
CID 638481
1-[2,3,4,5-tetrafluoro-6-(pyrimidin-2-ylamino)phenyl]ethanone
CID 101092245
N-pyrimidin-2-ylbenzamide;silver
CID 175574792
4-fluoro-2-methyl-N-pyrimidin-2-ylbenzamide
CID 115745693
N-(5-chloropyrazin-2-yl)-2,3,4,5,6-pentafluorobenzamide
CID 107595794
2-methyl-N-pyrimidin-2-yltriazole-4-carboxamide
CID 110691520
1-(4-fluorophenyl)-3-pyrimidin-2-ylurea
CID 4066669
2,4,5-trimethyl-N-pyrimidin-2-ylbenzamide
CID 110763140
2,2,3,3,4,4,5,5-octafluoro-N,N'-di(pyrimidin-2-yl)hexanediamide
CID 3290678

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentafluoro-N-pyrimidin-2-ylbenzamide?
The IUPAC name of 2,3,4,5,6-pentafluoro-N-pyrimidin-2-ylbenzamide (CID 5198526) is 2,3,4,5,6-pentafluoro-N-pyrimidin-2-ylbenzamide.
What is the SMILES notation for 2,3,4,5,6-pentafluoro-N-pyrimidin-2-ylbenzamide?
The canonical SMILES for 2,3,4,5,6-pentafluoro-N-pyrimidin-2-ylbenzamide is O=C(Nc1ncccn1)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2,3,4,5,6-pentafluoro-N-pyrimidin-2-ylbenzamide?
The InChIKey is PWGORYOUOXPPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4F5N3O/c12-5-4(6(13)8(15)9(16)7(5)14)10(20)19-11-17-2-1-3-18-11/h1-3H,(H,17,18,19,20).
What are the key properties of 2,3,4,5,6-pentafluoro-N-pyrimidin-2-ylbenzamide?
2,3,4,5,6-pentafluoro-N-pyrimidin-2-ylbenzamide has a molecular weight of 289.16 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentafluoro-N-pyrimidin-2-ylbenzamide is sourced from PubChem (CID 5198526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).