2,5-dibromo-N-pyrimidin-2-ylbenzamide

C11H7Br2N3O — CID 1234506

IUPAC2,5-dibromo-N-pyrimidin-2-ylbenzamide
SMILESO=C(Nc1ncccn1)c1cc(Br)ccc1Br
InChIInChI=1S/C11H7Br2N3O/c12-7-2-3-9(13)8(6-7)10(17)16-11-14-4-1-5-15-11/h1-6H,(H,14,15,16,17)
InChIKeyYGDCROKJYRUBIC-UHFFFAOYSA-N
MW357.01 g/mol
LogP3.25
Rot. Bonds2

About 2,5-dibromo-N-pyrimidin-2-ylbenzamide

2,5-dibromo-N-pyrimidin-2-ylbenzamide (PubChem CID 1234506) has the molecular formula C11H7Br2N3O and a molecular weight of 357.01 g/mol. Its IUPAC name is 2,5-dibromo-N-pyrimidin-2-ylbenzamide.

Molecular Properties

Compound Name2,5-dibromo-N-pyrimidin-2-ylbenzamide
PubChem CID1234506
Molecular FormulaC11H7Br2N3O
Molecular Weight357.01 g/mol
Exact Mass354.90
IUPAC Name2,5-dibromo-N-pyrimidin-2-ylbenzamide
SMILESO=C(Nc1ncccn1)c1cc(Br)ccc1Br
InChIInChI=1S/C11H7Br2N3O/c12-7-2-3-9(13)8(6-7)10(17)16-11-14-4-1-5-15-11/h1-6H,(H,14,15,16,17)
InChIKeyYGDCROKJYRUBIC-UHFFFAOYSA-N
XLogP3.25
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.01
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-iodo-N-pyrimidin-2-ylbenzamide
CID 103993852
2,5-dibromo-N-(2-bromophenyl)benzamide
CID 57379653
2,5-dibromo-N-(2-ethoxy-3-pyridinyl)benzamide
CID 114371185
2-[(2,5-dibromobenzoyl)amino]pyridine-4-carboxylic acid
CID 114368080
5-bromo-N-pyrimidin-2-ylpyridine-2-carboxamide
CID 62952846
5-bromo-2-(pyrimidin-2-ylcarbamoylamino)benzoic acid
CID 62073329
2,5-dibromo-N-(3-methylphenyl)benzamide
CID 1019389
2,5-dibromo-N-(4-methyl-3-pyridinyl)benzamide
CID 114372326
2,5-dibromo-N-(2,6-diethylphenyl)benzamide
CID 114369798
2,5-dibromo-N-[3-(carbamoylamino)phenyl]benzamide
CID 114371284
2,5-dibromo-N-(2,3,5,6-tetrafluorophenyl)benzamide
CID 107642067
N-(4-amino-3-bromophenyl)-2,5-dibromobenzamide
CID 114367768

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-pyrimidin-2-ylbenzamide?
The IUPAC name of 2,5-dibromo-N-pyrimidin-2-ylbenzamide (CID 1234506) is 2,5-dibromo-N-pyrimidin-2-ylbenzamide.
What is the SMILES notation for 2,5-dibromo-N-pyrimidin-2-ylbenzamide?
The canonical SMILES for 2,5-dibromo-N-pyrimidin-2-ylbenzamide is O=C(Nc1ncccn1)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-pyrimidin-2-ylbenzamide?
The InChIKey is YGDCROKJYRUBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Br2N3O/c12-7-2-3-9(13)8(6-7)10(17)16-11-14-4-1-5-15-11/h1-6H,(H,14,15,16,17).
What are the key properties of 2,5-dibromo-N-pyrimidin-2-ylbenzamide?
2,5-dibromo-N-pyrimidin-2-ylbenzamide has a molecular weight of 357.01 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-pyrimidin-2-ylbenzamide is sourced from PubChem (CID 1234506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).