4-bromo-N-(4-methylpyrimidin-2-yl)benzamide

C12H10BrN3O — CID 836227

IUPAC4-bromo-N-(4-methylpyrimidin-2-yl)benzamide
SMILESCc1ccnc(NC(=O)c2ccc(Br)cc2)n1
InChIInChI=1S/C12H10BrN3O/c1-8-6-7-14-12(15-8)16-11(17)9-2-4-10(13)5-3-9/h2-7H,1H3,(H,14,15,16,17)
InChIKeyIJMYHULESCDKQC-UHFFFAOYSA-N
MW292.14 g/mol
LogP2.80
Rot. Bonds2

About 4-bromo-N-(4-methylpyrimidin-2-yl)benzamide

4-bromo-N-(4-methylpyrimidin-2-yl)benzamide (PubChem CID 836227) has the molecular formula C12H10BrN3O and a molecular weight of 292.14 g/mol. Its IUPAC name is 4-bromo-N-(4-methylpyrimidin-2-yl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(4-methylpyrimidin-2-yl)benzamide
PubChem CID836227
Molecular FormulaC12H10BrN3O
Molecular Weight292.14 g/mol
Exact Mass291.00
IUPAC Name4-bromo-N-(4-methylpyrimidin-2-yl)benzamide
SMILESCc1ccnc(NC(=O)c2ccc(Br)cc2)n1
InChIInChI=1S/C12H10BrN3O/c1-8-6-7-14-12(15-8)16-11(17)9-2-4-10(13)5-3-9/h2-7H,1H3,(H,14,15,16,17)
InChIKeyIJMYHULESCDKQC-UHFFFAOYSA-N
XLogP2.80
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.14
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-methylpyrimidin-2-yl)benzamide?
The IUPAC name of 4-bromo-N-(4-methylpyrimidin-2-yl)benzamide (CID 836227) is 4-bromo-N-(4-methylpyrimidin-2-yl)benzamide.
What is the SMILES notation for 4-bromo-N-(4-methylpyrimidin-2-yl)benzamide?
The canonical SMILES for 4-bromo-N-(4-methylpyrimidin-2-yl)benzamide is Cc1ccnc(NC(=O)c2ccc(Br)cc2)n1.
What is the InChIKey of 4-bromo-N-(4-methylpyrimidin-2-yl)benzamide?
The InChIKey is IJMYHULESCDKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O/c1-8-6-7-14-12(15-8)16-11(17)9-2-4-10(13)5-3-9/h2-7H,1H3,(H,14,15,16,17).
What are the key properties of 4-bromo-N-(4-methylpyrimidin-2-yl)benzamide?
4-bromo-N-(4-methylpyrimidin-2-yl)benzamide has a molecular weight of 292.14 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-methylpyrimidin-2-yl)benzamide is sourced from PubChem (CID 836227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).