4-bromo-2-fluoro-N-pyrimidin-2-ylbenzamide

C11H7BrFN3O — CID 24702477

IUPAC4-bromo-2-fluoro-N-pyrimidin-2-ylbenzamide
SMILESO=C(Nc1ncccn1)c1ccc(Br)cc1F
InChIInChI=1S/C11H7BrFN3O/c12-7-2-3-8(9(13)6-7)10(17)16-11-14-4-1-5-15-11/h1-6H,(H,14,15,16,17)
InChIKeyLBMUDLUBLMOAOG-UHFFFAOYSA-N
MW296.10 g/mol
LogP2.63
Rot. Bonds2

About 4-bromo-2-fluoro-N-pyrimidin-2-ylbenzamide

4-bromo-2-fluoro-N-pyrimidin-2-ylbenzamide (PubChem CID 24702477) has the molecular formula C11H7BrFN3O and a molecular weight of 296.10 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-pyrimidin-2-ylbenzamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-pyrimidin-2-ylbenzamide
PubChem CID24702477
Molecular FormulaC11H7BrFN3O
Molecular Weight296.10 g/mol
Exact Mass294.98
IUPAC Name4-bromo-2-fluoro-N-pyrimidin-2-ylbenzamide
SMILESO=C(Nc1ncccn1)c1ccc(Br)cc1F
InChIInChI=1S/C11H7BrFN3O/c12-7-2-3-8(9(13)6-7)10(17)16-11-14-4-1-5-15-11/h1-6H,(H,14,15,16,17)
InChIKeyLBMUDLUBLMOAOG-UHFFFAOYSA-N
XLogP2.63
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.10
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-pyrimidin-2-ylbenzamide?
The IUPAC name of 4-bromo-2-fluoro-N-pyrimidin-2-ylbenzamide (CID 24702477) is 4-bromo-2-fluoro-N-pyrimidin-2-ylbenzamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-pyrimidin-2-ylbenzamide?
The canonical SMILES for 4-bromo-2-fluoro-N-pyrimidin-2-ylbenzamide is O=C(Nc1ncccn1)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluoro-N-pyrimidin-2-ylbenzamide?
The InChIKey is LBMUDLUBLMOAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrFN3O/c12-7-2-3-8(9(13)6-7)10(17)16-11-14-4-1-5-15-11/h1-6H,(H,14,15,16,17).
What are the key properties of 4-bromo-2-fluoro-N-pyrimidin-2-ylbenzamide?
4-bromo-2-fluoro-N-pyrimidin-2-ylbenzamide has a molecular weight of 296.10 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-pyrimidin-2-ylbenzamide is sourced from PubChem (CID 24702477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).