2-bromo-5-iodo-N-pyrimidin-2-ylbenzamide

C11H7BrIN3O — CID 103993852

IUPAC2-bromo-5-iodo-N-pyrimidin-2-ylbenzamide
SMILESO=C(Nc1ncccn1)c1cc(I)ccc1Br
InChIInChI=1S/C11H7BrIN3O/c12-9-3-2-7(13)6-8(9)10(17)16-11-14-4-1-5-15-11/h1-6H,(H,14,15,16,17)
InChIKeyWPAZDCLCZDFXKL-UHFFFAOYSA-N
MW404.01 g/mol
LogP3.10
Rot. Bonds2

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

2-bromo-5-iodo-N-pyrimidin-2-ylbenzamide (PubChem CID 103993852) has the molecular formula C11H7BrIN3O and a molecular weight of 404.01 g/mol. Its IUPAC name is 2-bromo-5-iodo-N-pyrimidin-2-ylbenzamide.

Molecular Properties

Compound Name2-bromo-5-iodo-N-pyrimidin-2-ylbenzamide
PubChem CID103993852
Molecular FormulaC11H7BrIN3O
Molecular Weight404.01 g/mol
Exact Mass402.88
IUPAC Name2-bromo-5-iodo-N-pyrimidin-2-ylbenzamide
SMILESO=C(Nc1ncccn1)c1cc(I)ccc1Br
InChIInChI=1S/C11H7BrIN3O/c12-9-3-2-7(13)6-8(9)10(17)16-11-14-4-1-5-15-11/h1-6H,(H,14,15,16,17)
InChIKeyWPAZDCLCZDFXKL-UHFFFAOYSA-N
XLogP3.10
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.01
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2,5-dibromo-N-pyrimidin-2-ylbenzamide
CID 1234506
2-bromo-5-iodo-N-(2-methyl-4-pyridinyl)benzamide
CID 103993823
2-bromo-N-(5-bromo-2-pyridinyl)-5-iodobenzamide
CID 114027500
2-bromo-N-(4-chloro-6-methylpyrimidin-2-yl)-5-iodobenzamide
CID 114052924
2-bromo-5-iodobenzohydrazide
CID 3623021
2-bromo-N-(2-chloro-4-fluorophenyl)-5-iodobenzamide
CID 114027522
2-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-5-iodobenzamide
CID 103995808
2-bromo-N-(5-fluoro-3-pyridinyl)-5-iodobenzamide
CID 114217625
2-bromo-N-(3-ethoxyphenyl)-5-iodobenzamide
CID 103989258
2-bromo-N-(4-ethyl-1H-pyrazol-5-yl)-5-iodobenzamide
CID 113364233
2-bromo-N-(2-cyano-3-methylphenyl)-5-iodobenzamide
CID 106547457
2-bromo-N-(2-chloro-4-iodophenyl)-5-fluorobenzamide
CID 47183268

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-iodo-N-pyrimidin-2-ylbenzamide?
The IUPAC name of 2-bromo-5-iodo-N-pyrimidin-2-ylbenzamide (CID 103993852) is 2-bromo-5-iodo-N-pyrimidin-2-ylbenzamide.
What is the SMILES notation for 2-bromo-5-iodo-N-pyrimidin-2-ylbenzamide?
The canonical SMILES for 2-bromo-5-iodo-N-pyrimidin-2-ylbenzamide is O=C(Nc1ncccn1)c1cc(I)ccc1Br.
What is the InChIKey of 2-bromo-5-iodo-N-pyrimidin-2-ylbenzamide?
The InChIKey is WPAZDCLCZDFXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrIN3O/c12-9-3-2-7(13)6-8(9)10(17)16-11-14-4-1-5-15-11/h1-6H,(H,14,15,16,17).
What are the key properties of 2-bromo-5-iodo-N-pyrimidin-2-ylbenzamide?
2-bromo-5-iodo-N-pyrimidin-2-ylbenzamide has a molecular weight of 404.01 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-iodo-N-pyrimidin-2-ylbenzamide is sourced from PubChem (CID 103993852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).