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

C14H10BrFINO — CID 114033240

IUPAC5-bromo-N-(3-fluoro-5-methylphenyl)-2-iodobenzamide
SMILESCc1cc(F)cc(NC(=O)c2cc(Br)ccc2I)c1
InChIInChI=1S/C14H10BrFINO/c1-8-4-10(16)7-11(5-8)18-14(19)12-6-9(15)2-3-13(12)17/h2-7H,1H3,(H,18,19)
InChIKeyNYEKSBJKKMSOMF-UHFFFAOYSA-N
MW434.05 g/mol
LogP4.75
Rot. Bonds2

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

5-bromo-N-(3-fluoro-5-methylphenyl)-2-iodobenzamide (PubChem CID 114033240) has the molecular formula C14H10BrFINO and a molecular weight of 434.05 g/mol. Its IUPAC name is 5-bromo-N-(3-fluoro-5-methylphenyl)-2-iodobenzamide.

Molecular Properties

Compound Name5-bromo-N-(3-fluoro-5-methylphenyl)-2-iodobenzamide
PubChem CID114033240
Molecular FormulaC14H10BrFINO
Molecular Weight434.05 g/mol
Exact Mass432.90
IUPAC Name5-bromo-N-(3-fluoro-5-methylphenyl)-2-iodobenzamide
SMILESCc1cc(F)cc(NC(=O)c2cc(Br)ccc2I)c1
InChIInChI=1S/C14H10BrFINO/c1-8-4-10(16)7-11(5-8)18-14(19)12-6-9(15)2-3-13(12)17/h2-7H,1H3,(H,18,19)
InChIKeyNYEKSBJKKMSOMF-UHFFFAOYSA-N
XLogP4.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.05
LogP ≤ 54.75
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

4-bromo-2-fluoro-N-(3-fluoro-5-methylphenyl)benzamide
CID 79050043
2,4-dibromo-N-(3-fluoro-5-methylphenyl)benzamide
CID 113345345
5-bromo-N-(3,4-difluorophenyl)-2-iodobenzamide
CID 34845392
5-bromo-N-(2-chloro-5-fluorophenyl)-2-iodobenzamide
CID 113231143
5-bromo-2-iodo-N-(3,4,5-trimethoxyphenyl)benzamide
CID 34749976
5-bromo-2-iodo-N-(3-iodophenyl)benzamide
CID 103600021
5-bromo-2-iodo-N-(2-methylphenyl)benzamide
CID 1368072
5-bromo-N-(3-hydroxyphenyl)-2-iodobenzamide
CID 78783688
5-bromo-2-iodo-N-(4-iodo-2-methylphenyl)benzamide
CID 103600330
2,3-difluoro-N-(3-fluoro-5-methylphenyl)benzamide
CID 79055067
5-bromo-N-(3-fluorophenyl)-2-methylbenzamide
CID 65306774
3-bromo-N-(3-fluoro-5-methylphenyl)-5-methylbenzamide
CID 113460801

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-fluoro-5-methylphenyl)-2-iodobenzamide?
The IUPAC name of 5-bromo-N-(3-fluoro-5-methylphenyl)-2-iodobenzamide (CID 114033240) is 5-bromo-N-(3-fluoro-5-methylphenyl)-2-iodobenzamide.
What is the SMILES notation for 5-bromo-N-(3-fluoro-5-methylphenyl)-2-iodobenzamide?
The canonical SMILES for 5-bromo-N-(3-fluoro-5-methylphenyl)-2-iodobenzamide is Cc1cc(F)cc(NC(=O)c2cc(Br)ccc2I)c1.
What is the InChIKey of 5-bromo-N-(3-fluoro-5-methylphenyl)-2-iodobenzamide?
The InChIKey is NYEKSBJKKMSOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFINO/c1-8-4-10(16)7-11(5-8)18-14(19)12-6-9(15)2-3-13(12)17/h2-7H,1H3,(H,18,19).
What are the key properties of 5-bromo-N-(3-fluoro-5-methylphenyl)-2-iodobenzamide?
5-bromo-N-(3-fluoro-5-methylphenyl)-2-iodobenzamide has a molecular weight of 434.05 g/mol, XLogP of 4.75, 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-fluoro-5-methylphenyl)-2-iodobenzamide is sourced from PubChem (CID 114033240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).