3-bromo-2-fluoro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide

C13H11BrFN3O2 — CID 107953809

IUPAC3-bromo-2-fluoro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide
SMILESCOc1cc(C)nc(NC(=O)c2cccc(Br)c2F)n1
InChIInChI=1S/C13H11BrFN3O2/c1-7-6-10(20-2)17-13(16-7)18-12(19)8-4-3-5-9(14)11(8)15/h3-6H,1-2H3,(H,16,17,18,19)
InChIKeyNRNXRJAGNNLGNQ-UHFFFAOYSA-N
MW340.15 g/mol
LogP2.95
Rot. Bonds3

About 3-bromo-2-fluoro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide

3-bromo-2-fluoro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide (PubChem CID 107953809) has the molecular formula C13H11BrFN3O2 and a molecular weight of 340.15 g/mol. Its IUPAC name is 3-bromo-2-fluoro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide.

Molecular Properties

Compound Name3-bromo-2-fluoro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide
PubChem CID107953809
Molecular FormulaC13H11BrFN3O2
Molecular Weight340.15 g/mol
Exact Mass339.00
IUPAC Name3-bromo-2-fluoro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide
SMILESCOc1cc(C)nc(NC(=O)c2cccc(Br)c2F)n1
InChIInChI=1S/C13H11BrFN3O2/c1-7-6-10(20-2)17-13(16-7)18-12(19)8-4-3-5-9(14)11(8)15/h3-6H,1-2H3,(H,16,17,18,19)
InChIKeyNRNXRJAGNNLGNQ-UHFFFAOYSA-N
XLogP2.95
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.15
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide
CID 103916876
5-amino-2-fluoro-N-(4-methoxy-6-methylpyrimidin-2-yl)-3-methylbenzamide
CID 107605341
2-bromo-N-(4,6-dimethoxypyrimidin-2-yl)-6-fluorobenzamide
CID 107626160
2-amino-4-fluoro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide
CID 107605297
2-bromo-N-(4,6-dimethoxypyrimidin-2-yl)-4-methylbenzamide
CID 107626172
2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-5-methylbenzamide
CID 107600113
2-hydroxy-5-methoxy-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide
CID 107600817
5-chloro-2-hydroxy-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide
CID 107600816
N-(4-chloro-6-methoxypyrimidin-2-yl)-2-fluorobenzamide
CID 114052810
3-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)-2-fluorobenzamide
CID 106545841
6-hydrazinyl-N-(4-methoxy-6-methylpyrimidin-2-yl)pyridine-2-carboxamide
CID 107603520
2-amino-N-(4,6-dimethoxypyrimidin-2-yl)-3-fluoropyridine-4-carboxamide
CID 107632020

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-fluoro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide?
The IUPAC name of 3-bromo-2-fluoro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide (CID 107953809) is 3-bromo-2-fluoro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide.
What is the SMILES notation for 3-bromo-2-fluoro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide?
The canonical SMILES for 3-bromo-2-fluoro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide is COc1cc(C)nc(NC(=O)c2cccc(Br)c2F)n1.
What is the InChIKey of 3-bromo-2-fluoro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide?
The InChIKey is NRNXRJAGNNLGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFN3O2/c1-7-6-10(20-2)17-13(16-7)18-12(19)8-4-3-5-9(14)11(8)15/h3-6H,1-2H3,(H,16,17,18,19).
What are the key properties of 3-bromo-2-fluoro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide?
3-bromo-2-fluoro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide has a molecular weight of 340.15 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-fluoro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide is sourced from PubChem (CID 107953809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).