5-bromo-2-fluoro-N-pyrimidin-5-ylbenzamide

C11H7BrFN3O — CID 104856789

IUPAC5-bromo-2-fluoro-N-pyrimidin-5-ylbenzamide
SMILESO=C(Nc1cncnc1)c1cc(Br)ccc1F
InChIInChI=1S/C11H7BrFN3O/c12-7-1-2-10(13)9(3-7)11(17)16-8-4-14-6-15-5-8/h1-6H,(H,16,17)
InChIKeyOCUKPGHODKEJLR-UHFFFAOYSA-N
MW296.10 g/mol
LogP2.63
Rot. Bonds2

About 5-bromo-2-fluoro-N-pyrimidin-5-ylbenzamide

5-bromo-2-fluoro-N-pyrimidin-5-ylbenzamide (PubChem CID 104856789) has the molecular formula C11H7BrFN3O and a molecular weight of 296.10 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-pyrimidin-5-ylbenzamide.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-pyrimidin-5-ylbenzamide
PubChem CID104856789
Molecular FormulaC11H7BrFN3O
Molecular Weight296.10 g/mol
Exact Mass294.98
IUPAC Name5-bromo-2-fluoro-N-pyrimidin-5-ylbenzamide
SMILESO=C(Nc1cncnc1)c1cc(Br)ccc1F
InChIInChI=1S/C11H7BrFN3O/c12-7-1-2-10(13)9(3-7)11(17)16-8-4-14-6-15-5-8/h1-6H,(H,16,17)
InChIKeyOCUKPGHODKEJLR-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

Analyze 5-bromo-2-fluoro-N-pyrimidin-5-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2-fluoro-N-(4-hydroxyphenyl)benzamide
CID 28739625
5-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-2-fluorobenzamide
CID 113267905
5-bromo-N-(6-chloro-3-pyridinyl)-2-fluorobenzamide
CID 78929857
5-bromo-N-(4-bromo-3-fluorophenyl)-2-fluorobenzamide
CID 65438137
N-(3-amino-4-methylphenyl)-5-bromo-2-fluorobenzamide
CID 24700004
5-bromo-2-fluoro-N-(4-methyl-3-pyridinyl)benzamide
CID 63327503
5-bromo-N-[6-(ethylamino)-3-pyridinyl]-2-fluorobenzamide
CID 115274798
5-bromo-N-(4-chloro-3-hydroxyphenyl)-2-fluorobenzamide
CID 64786910
5-[(5-bromo-2-fluorobenzoyl)amino]-2-methylbenzoic acid
CID 63653499
5-bromo-2-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64793080
5-bromo-2-fluoro-N-(2-fluorophenyl)benzamide
CID 24699182
5-[(3-bromobenzoyl)amino]-2-fluoro-N-pyridin-3-ylbenzamide
CID 68847958

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-pyrimidin-5-ylbenzamide?
The IUPAC name of 5-bromo-2-fluoro-N-pyrimidin-5-ylbenzamide (CID 104856789) is 5-bromo-2-fluoro-N-pyrimidin-5-ylbenzamide.
What is the SMILES notation for 5-bromo-2-fluoro-N-pyrimidin-5-ylbenzamide?
The canonical SMILES for 5-bromo-2-fluoro-N-pyrimidin-5-ylbenzamide is O=C(Nc1cncnc1)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-2-fluoro-N-pyrimidin-5-ylbenzamide?
The InChIKey is OCUKPGHODKEJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrFN3O/c12-7-1-2-10(13)9(3-7)11(17)16-8-4-14-6-15-5-8/h1-6H,(H,16,17).
What are the key properties of 5-bromo-2-fluoro-N-pyrimidin-5-ylbenzamide?
5-bromo-2-fluoro-N-pyrimidin-5-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 5-bromo-2-fluoro-N-pyrimidin-5-ylbenzamide is sourced from PubChem (CID 104856789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).