5-bromo-N-(3,4-difluorophenyl)-2-iodobenzamide

C13H7BrF2INO — CID 34845392

IUPAC5-bromo-N-(3,4-difluorophenyl)-2-iodobenzamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cc(Br)ccc1I
InChIInChI=1S/C13H7BrF2INO/c14-7-1-4-12(17)9(5-7)13(19)18-8-2-3-10(15)11(16)6-8/h1-6H,(H,18,19)
InChIKeyDXYCDWZCDGRCDH-UHFFFAOYSA-N
MW438.01 g/mol
LogP4.58
Rot. Bonds2

About 5-bromo-N-(3,4-difluorophenyl)-2-iodobenzamide

5-bromo-N-(3,4-difluorophenyl)-2-iodobenzamide (PubChem CID 34845392) has the molecular formula C13H7BrF2INO and a molecular weight of 438.01 g/mol. Its IUPAC name is 5-bromo-N-(3,4-difluorophenyl)-2-iodobenzamide.

Molecular Properties

Compound Name5-bromo-N-(3,4-difluorophenyl)-2-iodobenzamide
PubChem CID34845392
Molecular FormulaC13H7BrF2INO
Molecular Weight438.01 g/mol
Exact Mass436.87
IUPAC Name5-bromo-N-(3,4-difluorophenyl)-2-iodobenzamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cc(Br)ccc1I
InChIInChI=1S/C13H7BrF2INO/c14-7-1-4-12(17)9(5-7)13(19)18-8-2-3-10(15)11(16)6-8/h1-6H,(H,18,19)
InChIKeyDXYCDWZCDGRCDH-UHFFFAOYSA-N
XLogP4.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.01
LogP ≤ 54.58
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-N-(4-bromo-3-fluorophenyl)-2-fluorobenzamide
CID 65438137
5-bromo-N-(3-fluoro-5-methylphenyl)-2-iodobenzamide
CID 114033240
5-bromo-2-iodo-N-(3-iodophenyl)benzamide
CID 103600021
5-bromo-N-(3-hydroxyphenyl)-2-iodobenzamide
CID 78783688
5-bromo-2-iodo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 34749980
5-bromo-2-fluoro-N-(4-hydroxyphenyl)benzamide
CID 28739625
5-bromo-N-(4-cyano-2-fluorophenyl)-2-iodobenzamide
CID 103820409
3-amino-5-bromo-N-(3,4-difluorophenyl)-2-methylbenzamide
CID 107872055
4-[(2,5-dibromobenzoyl)amino]-2-fluorobenzoic acid
CID 107793046
2,5-dibromo-N-(3-fluoro-4-methylphenyl)benzamide
CID 114369991
5-bromo-2-iodo-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38034888
5-bromo-2-iodo-N-quinolin-6-ylbenzamide
CID 55784458

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3,4-difluorophenyl)-2-iodobenzamide?
The IUPAC name of 5-bromo-N-(3,4-difluorophenyl)-2-iodobenzamide (CID 34845392) is 5-bromo-N-(3,4-difluorophenyl)-2-iodobenzamide.
What is the SMILES notation for 5-bromo-N-(3,4-difluorophenyl)-2-iodobenzamide?
The canonical SMILES for 5-bromo-N-(3,4-difluorophenyl)-2-iodobenzamide is O=C(Nc1ccc(F)c(F)c1)c1cc(Br)ccc1I.
What is the InChIKey of 5-bromo-N-(3,4-difluorophenyl)-2-iodobenzamide?
The InChIKey is DXYCDWZCDGRCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrF2INO/c14-7-1-4-12(17)9(5-7)13(19)18-8-2-3-10(15)11(16)6-8/h1-6H,(H,18,19).
What are the key properties of 5-bromo-N-(3,4-difluorophenyl)-2-iodobenzamide?
5-bromo-N-(3,4-difluorophenyl)-2-iodobenzamide has a molecular weight of 438.01 g/mol, XLogP of 4.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3,4-difluorophenyl)-2-iodobenzamide is sourced from PubChem (CID 34845392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).