N-[5-(2-bromoethenyl)-2-oxo-1H-pyrimidin-6-yl]benzamide

C13H10BrN3O2 — CID 142666226

IUPACN-[5-(2-bromoethenyl)-2-oxo-1H-pyrimidin-6-yl]benzamide
SMILESO=C(Nc1[nH]c(=O)ncc1C=CBr)c1ccccc1
InChIInChI=1S/C13H10BrN3O2/c14-7-6-10-8-15-13(19)17-11(10)16-12(18)9-4-2-1-3-5-9/h1-8H,(H2,15,16,17,18,19)
InChIKeyQKVITODUCZNDHA-UHFFFAOYSA-N
MW320.15 g/mol
LogP2.39
Rot. Bonds3

About N-[5-(2-bromoethenyl)-2-oxo-1H-pyrimidin-6-yl]benzamide

N-[5-(2-bromoethenyl)-2-oxo-1H-pyrimidin-6-yl]benzamide (PubChem CID 142666226) has the molecular formula C13H10BrN3O2 and a molecular weight of 320.15 g/mol. Its IUPAC name is N-[5-(2-bromoethenyl)-2-oxo-1H-pyrimidin-6-yl]benzamide.

Molecular Properties

Compound NameN-[5-(2-bromoethenyl)-2-oxo-1H-pyrimidin-6-yl]benzamide
PubChem CID142666226
Molecular FormulaC13H10BrN3O2
Molecular Weight320.15 g/mol
Exact Mass319.00
IUPAC NameN-[5-(2-bromoethenyl)-2-oxo-1H-pyrimidin-6-yl]benzamide
SMILESO=C(Nc1[nH]c(=O)ncc1C=CBr)c1ccccc1
InChIInChI=1S/C13H10BrN3O2/c14-7-6-10-8-15-13(19)17-11(10)16-12(18)9-4-2-1-3-5-9/h1-8H,(H2,15,16,17,18,19)
InChIKeyQKVITODUCZNDHA-UHFFFAOYSA-N
XLogP2.39
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.15
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 638481
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N-pyrimidin-2-ylbenzamide;silver
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N-(5-phenylpyrimidin-2-yl)benzamide
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CID 68860160
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(E)-but-2-enedioic acid;N-pyrimidin-2-ylbenzamide
CID 162326925
[(2R,4R)-3-acetyloxy-5-(6-benzamido-2-oxo-1H-pyrimidin-5-yl)-4-fluoro-3,4-dimethyloxolan-2-yl]methyl benzoate
CID 68978274
N-[5-(3-aminophenyl)-1H-imidazol-2-yl]benzamide
CID 154687118
N-(2,4-dioxo-1H-pyrimidin-6-yl)benzamide
CID 3436100
N-(5-ethenyl-1,3-thiazol-2-yl)benzamide
CID 123927377

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-bromoethenyl)-2-oxo-1H-pyrimidin-6-yl]benzamide?
The IUPAC name of N-[5-(2-bromoethenyl)-2-oxo-1H-pyrimidin-6-yl]benzamide (CID 142666226) is N-[5-(2-bromoethenyl)-2-oxo-1H-pyrimidin-6-yl]benzamide.
What is the SMILES notation for N-[5-(2-bromoethenyl)-2-oxo-1H-pyrimidin-6-yl]benzamide?
The canonical SMILES for N-[5-(2-bromoethenyl)-2-oxo-1H-pyrimidin-6-yl]benzamide is O=C(Nc1[nH]c(=O)ncc1C=CBr)c1ccccc1.
What is the InChIKey of N-[5-(2-bromoethenyl)-2-oxo-1H-pyrimidin-6-yl]benzamide?
The InChIKey is QKVITODUCZNDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O2/c14-7-6-10-8-15-13(19)17-11(10)16-12(18)9-4-2-1-3-5-9/h1-8H,(H2,15,16,17,18,19).
What are the key properties of N-[5-(2-bromoethenyl)-2-oxo-1H-pyrimidin-6-yl]benzamide?
N-[5-(2-bromoethenyl)-2-oxo-1H-pyrimidin-6-yl]benzamide has a molecular weight of 320.15 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-bromoethenyl)-2-oxo-1H-pyrimidin-6-yl]benzamide is sourced from PubChem (CID 142666226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).