2-bromo-N-(2-methoxypyrimidin-5-yl)benzamide

C12H10BrN3O2 — CID 122301734

IUPAC2-bromo-N-(2-methoxypyrimidin-5-yl)benzamide
SMILESCOc1ncc(NC(=O)c2ccccc2Br)cn1
InChIInChI=1S/C12H10BrN3O2/c1-18-12-14-6-8(7-15-12)16-11(17)9-4-2-3-5-10(9)13/h2-7H,1H3,(H,16,17)
InChIKeyKWOOKMRANHULKU-UHFFFAOYSA-N
MW308.14 g/mol
LogP2.50
Rot. Bonds3

About 2-bromo-N-(2-methoxypyrimidin-5-yl)benzamide

2-bromo-N-(2-methoxypyrimidin-5-yl)benzamide (PubChem CID 122301734) has the molecular formula C12H10BrN3O2 and a molecular weight of 308.14 g/mol. Its IUPAC name is 2-bromo-N-(2-methoxypyrimidin-5-yl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(2-methoxypyrimidin-5-yl)benzamide
PubChem CID122301734
Molecular FormulaC12H10BrN3O2
Molecular Weight308.14 g/mol
Exact Mass307.00
IUPAC Name2-bromo-N-(2-methoxypyrimidin-5-yl)benzamide
SMILESCOc1ncc(NC(=O)c2ccccc2Br)cn1
InChIInChI=1S/C12H10BrN3O2/c1-18-12-14-6-8(7-15-12)16-11(17)9-4-2-3-5-10(9)13/h2-7H,1H3,(H,16,17)
InChIKeyKWOOKMRANHULKU-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 ≤ 500308.14
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-(2-phenylpyrimidin-5-yl)benzamide
CID 27692565
2-bromo-N-(2-methoxyphenyl)benzamide
CID 676344
2-bromo-N-[6-(tert-butylamino)-3-pyridinyl]benzamide
CID 113014773
2-bromo-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 3704326
2-bromo-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]benzamide
CID 122301454
3-fluoro-N-(2-methoxypyrimidin-5-yl)pyridine-4-carboxamide
CID 122301656
2-bromo-N-(3,5-dimethylphenyl)benzamide
CID 710587
N-(4-amino-3-methoxyphenyl)-2-bromobenzamide
CID 61240435
N-(2-methoxypyrimidin-5-yl)quinoline-2-carboxamide
CID 122301510
2-bromo-N-[6-(4-fluoroanilino)-3-pyridinyl]benzamide
CID 113018308
2-bromo-N-(6-phenylmethoxy-3-pyridinyl)benzamide
CID 55879442
N-(2-methoxypyrimidin-5-yl)-2,5-dimethylfuran-3-carboxamide
CID 122301541

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-methoxypyrimidin-5-yl)benzamide?
The IUPAC name of 2-bromo-N-(2-methoxypyrimidin-5-yl)benzamide (CID 122301734) is 2-bromo-N-(2-methoxypyrimidin-5-yl)benzamide.
What is the SMILES notation for 2-bromo-N-(2-methoxypyrimidin-5-yl)benzamide?
The canonical SMILES for 2-bromo-N-(2-methoxypyrimidin-5-yl)benzamide is COc1ncc(NC(=O)c2ccccc2Br)cn1.
What is the InChIKey of 2-bromo-N-(2-methoxypyrimidin-5-yl)benzamide?
The InChIKey is KWOOKMRANHULKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O2/c1-18-12-14-6-8(7-15-12)16-11(17)9-4-2-3-5-10(9)13/h2-7H,1H3,(H,16,17).
What are the key properties of 2-bromo-N-(2-methoxypyrimidin-5-yl)benzamide?
2-bromo-N-(2-methoxypyrimidin-5-yl)benzamide has a molecular weight of 308.14 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-N-(2-methoxypyrimidin-5-yl)benzamide is sourced from PubChem (CID 122301734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).