5-bromo-2-iodo-N-(2-methylphenyl)benzamide

C14H11BrINO — CID 1368072

IUPAC5-bromo-2-iodo-N-(2-methylphenyl)benzamide
SMILESCc1ccccc1NC(=O)c1cc(Br)ccc1I
InChIInChI=1S/C14H11BrINO/c1-9-4-2-3-5-13(9)17-14(18)11-8-10(15)6-7-12(11)16/h2-8H,1H3,(H,17,18)
InChIKeyGHKWPQMHMPFKPI-UHFFFAOYSA-N
MW416.06 g/mol
LogP4.61
Rot. Bonds2

About 5-bromo-2-iodo-N-(2-methylphenyl)benzamide

5-bromo-2-iodo-N-(2-methylphenyl)benzamide (PubChem CID 1368072) has the molecular formula C14H11BrINO and a molecular weight of 416.06 g/mol. Its IUPAC name is 5-bromo-2-iodo-N-(2-methylphenyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-iodo-N-(2-methylphenyl)benzamide
PubChem CID1368072
Molecular FormulaC14H11BrINO
Molecular Weight416.06 g/mol
Exact Mass414.91
IUPAC Name5-bromo-2-iodo-N-(2-methylphenyl)benzamide
SMILESCc1ccccc1NC(=O)c1cc(Br)ccc1I
InChIInChI=1S/C14H11BrINO/c1-9-4-2-3-5-13(9)17-14(18)11-8-10(15)6-7-12(11)16/h2-8H,1H3,(H,17,18)
InChIKeyGHKWPQMHMPFKPI-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

5-bromo-2-methyl-N-(2-methylphenyl)benzamide
CID 65307068
5-bromo-2-iodo-N-(4-iodo-2-methylphenyl)benzamide
CID 103600330
3-[(5-bromo-2-iodobenzoyl)amino]-N-ethyl-4-methylbenzamide
CID 55782441
5-bromo-N-[2-(cyclopropylcarbamoyl)phenyl]-2-iodobenzamide
CID 31303460
5-bromo-N-(2-chlorophenyl)-2-methylbenzamide
CID 65306919
N-(5-bromo-2-methylphenyl)-2-(methylamino)benzamide
CID 61375909
1-(4-bromo-2-methylphenyl)-3-(2-methylphenyl)urea
CID 108894214
N-(2,5-dibromophenyl)-2-methylbenzamide
CID 47167937
5-bromo-N-(2-carbamoylphenyl)-2-methylbenzamide
CID 65311671
5-bromo-2-iodo-N-pyridin-2-ylbenzamide
CID 23819192
5-bromo-N-(3-fluoro-5-methylphenyl)-2-iodobenzamide
CID 114033240
2-amino-N-(5-bromo-2-methylphenyl)benzamide
CID 43805810

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-iodo-N-(2-methylphenyl)benzamide?
The IUPAC name of 5-bromo-2-iodo-N-(2-methylphenyl)benzamide (CID 1368072) is 5-bromo-2-iodo-N-(2-methylphenyl)benzamide.
What is the SMILES notation for 5-bromo-2-iodo-N-(2-methylphenyl)benzamide?
The canonical SMILES for 5-bromo-2-iodo-N-(2-methylphenyl)benzamide is Cc1ccccc1NC(=O)c1cc(Br)ccc1I.
What is the InChIKey of 5-bromo-2-iodo-N-(2-methylphenyl)benzamide?
The InChIKey is GHKWPQMHMPFKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrINO/c1-9-4-2-3-5-13(9)17-14(18)11-8-10(15)6-7-12(11)16/h2-8H,1H3,(H,17,18).
What are the key properties of 5-bromo-2-iodo-N-(2-methylphenyl)benzamide?
5-bromo-2-iodo-N-(2-methylphenyl)benzamide 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 5-bromo-2-iodo-N-(2-methylphenyl)benzamide is sourced from PubChem (CID 1368072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).