2-bromo-5-methoxy-N-pyrimidin-5-ylbenzamide

C12H10BrN3O2 — CID 104856860

IUPAC2-bromo-5-methoxy-N-pyrimidin-5-ylbenzamide
SMILESCOc1ccc(Br)c(C(=O)Nc2cncnc2)c1
InChIInChI=1S/C12H10BrN3O2/c1-18-9-2-3-11(13)10(4-9)12(17)16-8-5-14-7-15-6-8/h2-7H,1H3,(H,16,17)
InChIKeyZHEXLYGYAFQYNK-UHFFFAOYSA-N
MW308.13 g/mol
LogP2.50
Rot. Bonds3

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

2-bromo-5-methoxy-N-pyrimidin-5-ylbenzamide (PubChem CID 104856860) has the molecular formula C12H10BrN3O2 and a molecular weight of 308.13 g/mol. Its IUPAC name is 2-bromo-5-methoxy-N-pyrimidin-5-ylbenzamide.

Molecular Properties

Compound Name2-bromo-5-methoxy-N-pyrimidin-5-ylbenzamide
PubChem CID104856860
Molecular FormulaC12H10BrN3O2
Molecular Weight308.13 g/mol
Exact Mass307.00
IUPAC Name2-bromo-5-methoxy-N-pyrimidin-5-ylbenzamide
SMILESCOc1ccc(Br)c(C(=O)Nc2cncnc2)c1
InChIInChI=1S/C12H10BrN3O2/c1-18-9-2-3-11(13)10(4-9)12(17)16-8-5-14-7-15-6-8/h2-7H,1H3,(H,16,17)
InChIKeyZHEXLYGYAFQYNK-UHFFFAOYSA-N
XLogP2.50
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.13
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[2-(dimethylamino)pyrimidin-5-yl]-5-methoxybenzamide
CID 122298027
2-amino-4-methoxy-N-pyrimidin-5-ylbenzamide
CID 107588666
2-bromo-5-methoxy-N-(6-methoxy-3-pyridinyl)benzamide
CID 27645934
5-amino-2-bromo-N-pyrimidin-5-ylbenzamide
CID 107587335
2-bromo-5-methoxy-N-(4-propan-2-yloxyphenyl)benzamide
CID 55749089
2-bromo-N-(3-hydroxyphenyl)-5-methoxybenzamide
CID 28739934
2-bromo-N-(5-fluoro-2-pyridinyl)-5-methoxybenzamide
CID 62877597
2-bromo-N-[4-(cyclopropanecarbonylamino)phenyl]-5-methoxybenzamide
CID 42470780
2-bromo-N-(3-fluoro-4-hydroxyphenyl)-5-methoxybenzamide
CID 64781077
2-bromo-5-methoxy-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 55865424
N-(5-amino-4-methyl-2-pyridinyl)-2-bromo-5-methoxybenzamide
CID 61292962
N-(3-amino-4-ethylphenyl)-2-bromo-5-methoxybenzamide
CID 43550231

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methoxy-N-pyrimidin-5-ylbenzamide?
The IUPAC name of 2-bromo-5-methoxy-N-pyrimidin-5-ylbenzamide (CID 104856860) is 2-bromo-5-methoxy-N-pyrimidin-5-ylbenzamide.
What is the SMILES notation for 2-bromo-5-methoxy-N-pyrimidin-5-ylbenzamide?
The canonical SMILES for 2-bromo-5-methoxy-N-pyrimidin-5-ylbenzamide is COc1ccc(Br)c(C(=O)Nc2cncnc2)c1.
What is the InChIKey of 2-bromo-5-methoxy-N-pyrimidin-5-ylbenzamide?
The InChIKey is ZHEXLYGYAFQYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O2/c1-18-9-2-3-11(13)10(4-9)12(17)16-8-5-14-7-15-6-8/h2-7H,1H3,(H,16,17).
What are the key properties of 2-bromo-5-methoxy-N-pyrimidin-5-ylbenzamide?
2-bromo-5-methoxy-N-pyrimidin-5-ylbenzamide has a molecular weight of 308.13 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methoxy-N-pyrimidin-5-ylbenzamide is sourced from PubChem (CID 104856860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).