5-bromo-N-(3-iodophenyl)-2-methylbenzamide

C14H11BrINO — CID 65308257

IUPAC5-bromo-N-(3-iodophenyl)-2-methylbenzamide
SMILESCc1ccc(Br)cc1C(=O)Nc1cccc(I)c1
InChIInChI=1S/C14H11BrINO/c1-9-5-6-10(15)7-13(9)14(18)17-12-4-2-3-11(16)8-12/h2-8H,1H3,(H,17,18)
InChIKeyKIQDZDONUWZATB-UHFFFAOYSA-N
MW416.06 g/mol
LogP4.61
Rot. Bonds2

About 5-bromo-N-(3-iodophenyl)-2-methylbenzamide

5-bromo-N-(3-iodophenyl)-2-methylbenzamide (PubChem CID 65308257) has the molecular formula C14H11BrINO and a molecular weight of 416.06 g/mol. Its IUPAC name is 5-bromo-N-(3-iodophenyl)-2-methylbenzamide.

Molecular Properties

Compound Name5-bromo-N-(3-iodophenyl)-2-methylbenzamide
PubChem CID65308257
Molecular FormulaC14H11BrINO
Molecular Weight416.06 g/mol
Exact Mass414.91
IUPAC Name5-bromo-N-(3-iodophenyl)-2-methylbenzamide
SMILESCc1ccc(Br)cc1C(=O)Nc1cccc(I)c1
InChIInChI=1S/C14H11BrINO/c1-9-5-6-10(15)7-13(9)14(18)17-12-4-2-3-11(16)8-12/h2-8H,1H3,(H,17,18)
InChIKeyKIQDZDONUWZATB-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-iodo-N-(3-iodophenyl)benzamide
CID 103600021
5-bromo-N-(3-fluorophenyl)-2-methylbenzamide
CID 65306774
3-[(5-bromo-2-methylbenzoyl)amino]benzoic acid
CID 65306133
5-bromo-N-[3-(dimethylamino)phenyl]-2-methylbenzamide
CID 115377789
methyl 3-[(5-bromo-2-methylbenzoyl)amino]benzoate
CID 65311803
5-bromo-N-(4-iodo-2-methylphenyl)-2-methylbenzamide
CID 65311639
2-[(5-bromo-2-methylbenzoyl)amino]-5-iodobenzoic acid
CID 65307924
5-bromo-N-(2,6-dimethylphenyl)-2-methylbenzamide
CID 65307111
5-bromo-N-(3-chloro-4-methylphenyl)-2-methylbenzamide
CID 65307918
5-bromo-2-methyl-N-(2-methylphenyl)benzamide
CID 65307068
2,5-dimethyl-N-(3-methylphenyl)benzamide
CID 925357
2,5-dibromo-N-(3-methylphenyl)benzamide
CID 1019389

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-iodophenyl)-2-methylbenzamide?
The IUPAC name of 5-bromo-N-(3-iodophenyl)-2-methylbenzamide (CID 65308257) is 5-bromo-N-(3-iodophenyl)-2-methylbenzamide.
What is the SMILES notation for 5-bromo-N-(3-iodophenyl)-2-methylbenzamide?
The canonical SMILES for 5-bromo-N-(3-iodophenyl)-2-methylbenzamide is Cc1ccc(Br)cc1C(=O)Nc1cccc(I)c1.
What is the InChIKey of 5-bromo-N-(3-iodophenyl)-2-methylbenzamide?
The InChIKey is KIQDZDONUWZATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrINO/c1-9-5-6-10(15)7-13(9)14(18)17-12-4-2-3-11(16)8-12/h2-8H,1H3,(H,17,18).
What are the key properties of 5-bromo-N-(3-iodophenyl)-2-methylbenzamide?
5-bromo-N-(3-iodophenyl)-2-methylbenzamide 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-N-(3-iodophenyl)-2-methylbenzamide is sourced from PubChem (CID 65308257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).