3-iodo-N-pyrimidin-5-ylbenzamide

C11H8IN3O — CID 104856856

IUPAC3-iodo-N-pyrimidin-5-ylbenzamide
SMILESO=C(Nc1cncnc1)c1cccc(I)c1
InChIInChI=1S/C11H8IN3O/c12-9-3-1-2-8(4-9)11(16)15-10-5-13-7-14-6-10/h1-7H,(H,15,16)
InChIKeyFDEBNROIVHAUBJ-UHFFFAOYSA-N
MW325.11 g/mol
LogP2.33
Rot. Bonds2

About 3-iodo-N-pyrimidin-5-ylbenzamide

3-iodo-N-pyrimidin-5-ylbenzamide (PubChem CID 104856856) has the molecular formula C11H8IN3O and a molecular weight of 325.11 g/mol. Its IUPAC name is 3-iodo-N-pyrimidin-5-ylbenzamide.

Molecular Properties

Compound Name3-iodo-N-pyrimidin-5-ylbenzamide
PubChem CID104856856
Molecular FormulaC11H8IN3O
Molecular Weight325.11 g/mol
Exact Mass324.97
IUPAC Name3-iodo-N-pyrimidin-5-ylbenzamide
SMILESO=C(Nc1cncnc1)c1cccc(I)c1
InChIInChI=1S/C11H8IN3O/c12-9-3-1-2-8(4-9)11(16)15-10-5-13-7-14-6-10/h1-7H,(H,15,16)
InChIKeyFDEBNROIVHAUBJ-UHFFFAOYSA-N
XLogP2.33
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.11
LogP ≤ 52.33
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

N-pyrimidin-5-ylbenzamide
CID 68971843
3-carbamothioyl-N-pyrimidin-5-ylbenzamide
CID 107588773
3-iodo-N-[4-(1,3-oxazol-5-yl)phenyl]benzamide
CID 60810765
5-[(3-iodobenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide
CID 68848540
3-iodo-N-(4-propan-2-ylphenyl)benzamide
CID 1154174
N-(4-bromo-3,5-dimethylphenyl)-3-iodobenzamide
CID 107574838
1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide
CID 679756
2-oxo-N-pyrimidin-5-yl-1H-pyridine-4-carboxamide
CID 104862699
N-(4-amino-3-bromophenyl)-3-iodobenzamide
CID 82861642
N-(3-bromo-5-methylphenyl)-3-iodobenzamide
CID 107583753
N-(3-ethylphenyl)-3-iodobenzamide
CID 2591482
4-hydroxy-N-pyrimidin-5-ylbenzamide
CID 104862675

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-pyrimidin-5-ylbenzamide?
The IUPAC name of 3-iodo-N-pyrimidin-5-ylbenzamide (CID 104856856) is 3-iodo-N-pyrimidin-5-ylbenzamide.
What is the SMILES notation for 3-iodo-N-pyrimidin-5-ylbenzamide?
The canonical SMILES for 3-iodo-N-pyrimidin-5-ylbenzamide is O=C(Nc1cncnc1)c1cccc(I)c1.
What is the InChIKey of 3-iodo-N-pyrimidin-5-ylbenzamide?
The InChIKey is FDEBNROIVHAUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8IN3O/c12-9-3-1-2-8(4-9)11(16)15-10-5-13-7-14-6-10/h1-7H,(H,15,16).
What are the key properties of 3-iodo-N-pyrimidin-5-ylbenzamide?
3-iodo-N-pyrimidin-5-ylbenzamide has a molecular weight of 325.11 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-pyrimidin-5-ylbenzamide is sourced from PubChem (CID 104856856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).