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

C17H12BrN3O — CID 27692565

IUPAC2-bromo-N-(2-phenylpyrimidin-5-yl)benzamide
SMILESO=C(Nc1cnc(-c2ccccc2)nc1)c1ccccc1Br
InChIInChI=1S/C17H12BrN3O/c18-15-9-5-4-8-14(15)17(22)21-13-10-19-16(20-11-13)12-6-2-1-3-7-12/h1-11H,(H,21,22)
InChIKeyUNOMFODIVUEGQA-UHFFFAOYSA-N
MW354.21 g/mol
LogP4.16
Rot. Bonds3

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

2-bromo-N-(2-phenylpyrimidin-5-yl)benzamide (PubChem CID 27692565) has the molecular formula C17H12BrN3O and a molecular weight of 354.21 g/mol. Its IUPAC name is 2-bromo-N-(2-phenylpyrimidin-5-yl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(2-phenylpyrimidin-5-yl)benzamide
PubChem CID27692565
Molecular FormulaC17H12BrN3O
Molecular Weight354.21 g/mol
Exact Mass353.02
IUPAC Name2-bromo-N-(2-phenylpyrimidin-5-yl)benzamide
SMILESO=C(Nc1cnc(-c2ccccc2)nc1)c1ccccc1Br
InChIInChI=1S/C17H12BrN3O/c18-15-9-5-4-8-14(15)17(22)21-13-10-19-16(20-11-13)12-6-2-1-3-7-12/h1-11H,(H,21,22)
InChIKeyUNOMFODIVUEGQA-UHFFFAOYSA-N
XLogP4.16
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.21
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(2-methoxypyrimidin-5-yl)benzamide
CID 122301734
N-(2-phenylpyrimidin-5-yl)quinoline-8-carboxamide
CID 134009435
5-bromo-N-(2-phenylpyrimidin-5-yl)thiophene-2-carboxamide
CID 46439802
2,5-dimethyl-N-(2-phenylpyrimidin-5-yl)furan-3-carboxamide
CID 134009194
2-bromo-N-[6-(4-fluoroanilino)-3-pyridinyl]benzamide
CID 113018308
2-bromo-N-[6-(tert-butylamino)-3-pyridinyl]benzamide
CID 113014773
2-bromo-N-(6-phenylmethoxy-3-pyridinyl)benzamide
CID 55879442
2-bromo-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]benzamide
CID 122301454
2-bromo-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
CID 70866161
N-(2-phenylpyrimidin-5-yl)propanamide
CID 53014772
2-chloro-N-(2-phenylpyrimidin-5-yl)acetamide
CID 43699755
2-methyl-N-[2-oxo-2-[(2-phenylpyrimidin-5-yl)amino]ethyl]benzamide
CID 134056276

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-phenylpyrimidin-5-yl)benzamide?
The IUPAC name of 2-bromo-N-(2-phenylpyrimidin-5-yl)benzamide (CID 27692565) is 2-bromo-N-(2-phenylpyrimidin-5-yl)benzamide.
What is the SMILES notation for 2-bromo-N-(2-phenylpyrimidin-5-yl)benzamide?
The canonical SMILES for 2-bromo-N-(2-phenylpyrimidin-5-yl)benzamide is O=C(Nc1cnc(-c2ccccc2)nc1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(2-phenylpyrimidin-5-yl)benzamide?
The InChIKey is UNOMFODIVUEGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrN3O/c18-15-9-5-4-8-14(15)17(22)21-13-10-19-16(20-11-13)12-6-2-1-3-7-12/h1-11H,(H,21,22).
What are the key properties of 2-bromo-N-(2-phenylpyrimidin-5-yl)benzamide?
2-bromo-N-(2-phenylpyrimidin-5-yl)benzamide has a molecular weight of 354.21 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-phenylpyrimidin-5-yl)benzamide is sourced from PubChem (CID 27692565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).