2-bromo-N-(4-chloro-6-methylpyrimidin-2-yl)-5-iodobenzamide

C12H8BrClIN3O — CID 114052924

IUPAC2-bromo-N-(4-chloro-6-methylpyrimidin-2-yl)-5-iodobenzamide
SMILESCc1cc(Cl)nc(NC(=O)c2cc(I)ccc2Br)n1
InChIInChI=1S/C12H8BrClIN3O/c1-6-4-10(14)17-12(16-6)18-11(19)8-5-7(15)2-3-9(8)13/h2-5H,1H3,(H,16,17,18,19)
InChIKeyXCWKTEZPVLJHAL-UHFFFAOYSA-N
MW452.48 g/mol
LogP4.06
Rot. Bonds2

About 2-bromo-N-(4-chloro-6-methylpyrimidin-2-yl)-5-iodobenzamide

2-bromo-N-(4-chloro-6-methylpyrimidin-2-yl)-5-iodobenzamide (PubChem CID 114052924) has the molecular formula C12H8BrClIN3O and a molecular weight of 452.48 g/mol. Its IUPAC name is 2-bromo-N-(4-chloro-6-methylpyrimidin-2-yl)-5-iodobenzamide.

Molecular Properties

Compound Name2-bromo-N-(4-chloro-6-methylpyrimidin-2-yl)-5-iodobenzamide
PubChem CID114052924
Molecular FormulaC12H8BrClIN3O
Molecular Weight452.48 g/mol
Exact Mass450.86
IUPAC Name2-bromo-N-(4-chloro-6-methylpyrimidin-2-yl)-5-iodobenzamide
SMILESCc1cc(Cl)nc(NC(=O)c2cc(I)ccc2Br)n1
InChIInChI=1S/C12H8BrClIN3O/c1-6-4-10(14)17-12(16-6)18-11(19)8-5-7(15)2-3-9(8)13/h2-5H,1H3,(H,16,17,18,19)
InChIKeyXCWKTEZPVLJHAL-UHFFFAOYSA-N
XLogP4.06
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.48
LogP ≤ 54.06
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-bromo-4-chloro-N-(4-chloro-6-methylpyrimidin-2-yl)benzamide
CID 114052927
N-(5-bromo-6-methyl-2-pyridinyl)-2-chloro-5-iodobenzamide
CID 4509262
2-bromo-5-iodo-N-pyrimidin-2-ylbenzamide
CID 103993852
2,5-dichloro-N-(4-chloro-6-methylpyrimidin-2-yl)thiophene-3-carboxamide
CID 114053375
2-bromo-5-iodo-N-(2-methyl-4-pyridinyl)benzamide
CID 103993823
3-bromo-N-(4-chloro-6-methylpyrimidin-2-yl)benzamide
CID 114052917
2-bromo-N-(2-chloro-4-fluorophenyl)-5-iodobenzamide
CID 114027522
2-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-5-iodobenzamide
CID 114027614
2,5-dichloro-N-(4,6-dimethylpyrimidin-2-yl)benzamide
CID 670750
2-bromo-5-iodobenzohydrazide
CID 3623021
2-bromo-N-(5-bromo-2-pyridinyl)-5-iodobenzamide
CID 114027500
2-bromo-N-(4-iodophenyl)-5-methylbenzamide
CID 81109566

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-chloro-6-methylpyrimidin-2-yl)-5-iodobenzamide?
The IUPAC name of 2-bromo-N-(4-chloro-6-methylpyrimidin-2-yl)-5-iodobenzamide (CID 114052924) is 2-bromo-N-(4-chloro-6-methylpyrimidin-2-yl)-5-iodobenzamide.
What is the SMILES notation for 2-bromo-N-(4-chloro-6-methylpyrimidin-2-yl)-5-iodobenzamide?
The canonical SMILES for 2-bromo-N-(4-chloro-6-methylpyrimidin-2-yl)-5-iodobenzamide is Cc1cc(Cl)nc(NC(=O)c2cc(I)ccc2Br)n1.
What is the InChIKey of 2-bromo-N-(4-chloro-6-methylpyrimidin-2-yl)-5-iodobenzamide?
The InChIKey is XCWKTEZPVLJHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClIN3O/c1-6-4-10(14)17-12(16-6)18-11(19)8-5-7(15)2-3-9(8)13/h2-5H,1H3,(H,16,17,18,19).
What are the key properties of 2-bromo-N-(4-chloro-6-methylpyrimidin-2-yl)-5-iodobenzamide?
2-bromo-N-(4-chloro-6-methylpyrimidin-2-yl)-5-iodobenzamide has a molecular weight of 452.48 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-chloro-6-methylpyrimidin-2-yl)-5-iodobenzamide is sourced from PubChem (CID 114052924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).