N-(5-bromo-2-methylphenyl)-3-iodobenzamide

C14H11BrINO — CID 43806317

IUPACN-(5-bromo-2-methylphenyl)-3-iodobenzamide
SMILESCc1ccc(Br)cc1NC(=O)c1cccc(I)c1
InChIInChI=1S/C14H11BrINO/c1-9-5-6-11(15)8-13(9)17-14(18)10-3-2-4-12(16)7-10/h2-8H,1H3,(H,17,18)
InChIKeyTXAOKYBDFSUYNU-UHFFFAOYSA-N
MW416.06 g/mol
LogP4.61
Rot. Bonds2

About N-(5-bromo-2-methylphenyl)-3-iodobenzamide

N-(5-bromo-2-methylphenyl)-3-iodobenzamide (PubChem CID 43806317) has the molecular formula C14H11BrINO and a molecular weight of 416.06 g/mol. Its IUPAC name is N-(5-bromo-2-methylphenyl)-3-iodobenzamide.

Molecular Properties

Compound NameN-(5-bromo-2-methylphenyl)-3-iodobenzamide
PubChem CID43806317
Molecular FormulaC14H11BrINO
Molecular Weight416.06 g/mol
Exact Mass414.91
IUPAC NameN-(5-bromo-2-methylphenyl)-3-iodobenzamide
SMILESCc1ccc(Br)cc1NC(=O)c1cccc(I)c1
InChIInChI=1S/C14H11BrINO/c1-9-5-6-11(15)8-13(9)17-14(18)10-3-2-4-12(16)7-10/h2-8H,1H3,(H,17,18)
InChIKeyTXAOKYBDFSUYNU-UHFFFAOYSA-N
XLogP4.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.06
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromo-2-methylphenyl)-3-hydroxy-4-methylbenzamide
CID 43806148
N-(5-bromo-2-methylphenyl)-4-methylbenzamide
CID 43806352
N-(4-bromo-3,5-dimethylphenyl)-3-iodobenzamide
CID 107574838
N-(5-bromo-2-methylphenyl)-2,6-dihydroxybenzamide
CID 107688790
5-bromo-N-(5-bromo-2-methylphenyl)thiophene-3-carboxamide
CID 43806118
N-(3-bromo-5-methylphenyl)-3-iodobenzamide
CID 107583753
N-(2-bromophenyl)-3-iodobenzamide
CID 3258895
3-bromo-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide
CID 66477560
N-(5-iodo-2-methylphenyl)-3-methoxybenzamide
CID 1047120
N-(5-bromo-2-methylphenyl)-2,3-dihydroxybenzamide
CID 114343683
5-bromo-N-(5-bromo-2-methylphenyl)pyridine-3-carboxamide
CID 43806322
N-(5-bromo-2-methylphenyl)-4-fluoro-3-sulfanylbenzamide
CID 107023428

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methylphenyl)-3-iodobenzamide?
The IUPAC name of N-(5-bromo-2-methylphenyl)-3-iodobenzamide (CID 43806317) is N-(5-bromo-2-methylphenyl)-3-iodobenzamide.
What is the SMILES notation for N-(5-bromo-2-methylphenyl)-3-iodobenzamide?
The canonical SMILES for N-(5-bromo-2-methylphenyl)-3-iodobenzamide is Cc1ccc(Br)cc1NC(=O)c1cccc(I)c1.
What is the InChIKey of N-(5-bromo-2-methylphenyl)-3-iodobenzamide?
The InChIKey is TXAOKYBDFSUYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrINO/c1-9-5-6-11(15)8-13(9)17-14(18)10-3-2-4-12(16)7-10/h2-8H,1H3,(H,17,18).
What are the key properties of N-(5-bromo-2-methylphenyl)-3-iodobenzamide?
N-(5-bromo-2-methylphenyl)-3-iodobenzamide has a molecular weight of 416.06 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methylphenyl)-3-iodobenzamide is sourced from PubChem (CID 43806317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).