2-bromo-6-fluoro-N-[(2-methylpyrimidin-4-yl)methyl]benzamide

C13H11BrFN3O — CID 113250752

IUPAC2-bromo-6-fluoro-N-[(2-methylpyrimidin-4-yl)methyl]benzamide
SMILESCc1nccc(CNC(=O)c2c(F)cccc2Br)n1
InChIInChI=1S/C13H11BrFN3O/c1-8-16-6-5-9(18-8)7-17-13(19)12-10(14)3-2-4-11(12)15/h2-6H,7H2,1H3,(H,17,19)
InChIKeyCNSOVSIELMCLER-UHFFFAOYSA-N
MW324.15 g/mol
LogP2.62
Rot. Bonds3

About 2-bromo-6-fluoro-N-[(2-methylpyrimidin-4-yl)methyl]benzamide

2-bromo-6-fluoro-N-[(2-methylpyrimidin-4-yl)methyl]benzamide (PubChem CID 113250752) has the molecular formula C13H11BrFN3O and a molecular weight of 324.15 g/mol. Its IUPAC name is 2-bromo-6-fluoro-N-[(2-methylpyrimidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2-bromo-6-fluoro-N-[(2-methylpyrimidin-4-yl)methyl]benzamide
PubChem CID113250752
Molecular FormulaC13H11BrFN3O
Molecular Weight324.15 g/mol
Exact Mass323.01
IUPAC Name2-bromo-6-fluoro-N-[(2-methylpyrimidin-4-yl)methyl]benzamide
SMILESCc1nccc(CNC(=O)c2c(F)cccc2Br)n1
InChIInChI=1S/C13H11BrFN3O/c1-8-16-6-5-9(18-8)7-17-13(19)12-10(14)3-2-4-11(12)15/h2-6H,7H2,1H3,(H,17,19)
InChIKeyCNSOVSIELMCLER-UHFFFAOYSA-N
XLogP2.62
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.15
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-bromo-6-fluoro-N-[(2-methylpyrimidin-4-yl)methyl]benzamide 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

2-[4-(4-Bromobenzoyl)-1-piperazinyl]pyrimidine
CID 845062
2-bromo-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide
CID 18106926
2-[3-(2-Bromophenyl)piperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
CID 57593994
3-[[5-bromo-4-[(3-fluorophenyl)methylamino]pyrimidin-2-yl]amino]-N-piperidin-3-ylbenzamide
CID 163209612
2-bromo-N-(4-((4-(ethylamino)-6-methylpyrimidin-2-yl)amino)phenyl)benzamide
CID 44522260
2-[(3-Aminophenyl)methylamino]-6-(2-bromophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 49865467
4-[[4-[(2-bromophenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-methylbenzamide
CID 164618362
4-[[4-[(3-bromophenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-methylbenzamide
CID 164619031
4-[[4-[(4-bromophenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-methylbenzamide
CID 164624501
2-[4-(2-Bromobenzoyl)-1-piperazinyl]pyrimidine
CID 2059832
2-bromo-N-(pyrimidin-2-ylcarbamothioyl)benzamide
CID 802921
4-bromo-N-(4-methylpyrimidin-2-yl)benzamide
CID 836227

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoro-N-[(2-methylpyrimidin-4-yl)methyl]benzamide?
The IUPAC name of 2-bromo-6-fluoro-N-[(2-methylpyrimidin-4-yl)methyl]benzamide (CID 113250752) is 2-bromo-6-fluoro-N-[(2-methylpyrimidin-4-yl)methyl]benzamide.
What is the SMILES notation for 2-bromo-6-fluoro-N-[(2-methylpyrimidin-4-yl)methyl]benzamide?
The canonical SMILES for 2-bromo-6-fluoro-N-[(2-methylpyrimidin-4-yl)methyl]benzamide is Cc1nccc(CNC(=O)c2c(F)cccc2Br)n1.
What is the InChIKey of 2-bromo-6-fluoro-N-[(2-methylpyrimidin-4-yl)methyl]benzamide?
The InChIKey is CNSOVSIELMCLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFN3O/c1-8-16-6-5-9(18-8)7-17-13(19)12-10(14)3-2-4-11(12)15/h2-6H,7H2,1H3,(H,17,19).
What are the key properties of 2-bromo-6-fluoro-N-[(2-methylpyrimidin-4-yl)methyl]benzamide?
2-bromo-6-fluoro-N-[(2-methylpyrimidin-4-yl)methyl]benzamide has a molecular weight of 324.15 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-fluoro-N-[(2-methylpyrimidin-4-yl)methyl]benzamide is sourced from PubChem (CID 113250752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).