N-(3-bromo-5-methylphenyl)-2-iodo-3-methylbenzamide

C15H13BrINO — CID 114030738

IUPACN-(3-bromo-5-methylphenyl)-2-iodo-3-methylbenzamide
SMILESCc1cc(Br)cc(NC(=O)c2cccc(C)c2I)c1
InChIInChI=1S/C15H13BrINO/c1-9-6-11(16)8-12(7-9)18-15(19)13-5-3-4-10(2)14(13)17/h3-8H,1-2H3,(H,18,19)
InChIKeyXUINJNLTGQNHGF-UHFFFAOYSA-N
MW430.08 g/mol
LogP4.92
Rot. Bonds2

About N-(3-bromo-5-methylphenyl)-2-iodo-3-methylbenzamide

N-(3-bromo-5-methylphenyl)-2-iodo-3-methylbenzamide (PubChem CID 114030738) has the molecular formula C15H13BrINO and a molecular weight of 430.08 g/mol. Its IUPAC name is N-(3-bromo-5-methylphenyl)-2-iodo-3-methylbenzamide.

Molecular Properties

Compound NameN-(3-bromo-5-methylphenyl)-2-iodo-3-methylbenzamide
PubChem CID114030738
Molecular FormulaC15H13BrINO
Molecular Weight430.08 g/mol
Exact Mass428.92
IUPAC NameN-(3-bromo-5-methylphenyl)-2-iodo-3-methylbenzamide
SMILESCc1cc(Br)cc(NC(=O)c2cccc(C)c2I)c1
InChIInChI=1S/C15H13BrINO/c1-9-6-11(16)8-12(7-9)18-15(19)13-5-3-4-10(2)14(13)17/h3-8H,1-2H3,(H,18,19)
InChIKeyXUINJNLTGQNHGF-UHFFFAOYSA-N
XLogP4.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.08
LogP ≤ 54.92
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-(2-bromo-5-methylphenyl)-2-iodo-3-methylbenzamide
CID 103867045
N-(3-bromo-5-methylphenyl)-3-iodobenzamide
CID 107583753
N-(4-bromo-3-methoxyphenyl)-2-iodo-3-methylbenzamide
CID 103719026
N-(5-bromo-2-pyridinyl)-2-iodo-3-methylbenzamide
CID 103617949
3-bromo-N-(3-bromo-5-methylphenyl)benzamide
CID 107583869
4-amino-N-(3-bromo-5-methylphenyl)-2-methylbenzamide
CID 107578505
N-(4-iodo-3,5-dimethylphenyl)-2-methylbenzamide
CID 17274184
5-amino-N-(3-bromo-5-methylphenyl)-2,4-dimethylbenzamide
CID 107581692
N-(3-bromo-5-methylphenyl)-2-fluoro-4-methylbenzamide
CID 107582986
2-iodo-N-(5-iodo-2-methylphenyl)-3-methylbenzamide
CID 114257116
N-(3-bromo-5-methylphenyl)-2,4,6-trimethylbenzamide
CID 84542762
methyl 4-[(2-iodo-3-methylbenzoyl)amino]benzoate
CID 38886727

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methylphenyl)-2-iodo-3-methylbenzamide?
The IUPAC name of N-(3-bromo-5-methylphenyl)-2-iodo-3-methylbenzamide (CID 114030738) is N-(3-bromo-5-methylphenyl)-2-iodo-3-methylbenzamide.
What is the SMILES notation for N-(3-bromo-5-methylphenyl)-2-iodo-3-methylbenzamide?
The canonical SMILES for N-(3-bromo-5-methylphenyl)-2-iodo-3-methylbenzamide is Cc1cc(Br)cc(NC(=O)c2cccc(C)c2I)c1.
What is the InChIKey of N-(3-bromo-5-methylphenyl)-2-iodo-3-methylbenzamide?
The InChIKey is XUINJNLTGQNHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrINO/c1-9-6-11(16)8-12(7-9)18-15(19)13-5-3-4-10(2)14(13)17/h3-8H,1-2H3,(H,18,19).
What are the key properties of N-(3-bromo-5-methylphenyl)-2-iodo-3-methylbenzamide?
N-(3-bromo-5-methylphenyl)-2-iodo-3-methylbenzamide has a molecular weight of 430.08 g/mol, XLogP of 4.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methylphenyl)-2-iodo-3-methylbenzamide is sourced from PubChem (CID 114030738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).