4-bromo-N-(4-chloro-2-iodophenyl)-3-fluorobenzamide

C13H7BrClFINO — CID 107626139

IUPAC4-bromo-N-(4-chloro-2-iodophenyl)-3-fluorobenzamide
SMILESO=C(Nc1ccc(Cl)cc1I)c1ccc(Br)c(F)c1
InChIInChI=1S/C13H7BrClFINO/c14-9-3-1-7(5-10(9)16)13(19)18-12-4-2-8(15)6-11(12)17/h1-6H,(H,18,19)
InChIKeyVVYWKAGXPDRJGQ-UHFFFAOYSA-N
MW454.46 g/mol
LogP5.10
Rot. Bonds2

About 4-bromo-N-(4-chloro-2-iodophenyl)-3-fluorobenzamide

4-bromo-N-(4-chloro-2-iodophenyl)-3-fluorobenzamide (PubChem CID 107626139) has the molecular formula C13H7BrClFINO and a molecular weight of 454.46 g/mol. Its IUPAC name is 4-bromo-N-(4-chloro-2-iodophenyl)-3-fluorobenzamide.

Molecular Properties

Compound Name4-bromo-N-(4-chloro-2-iodophenyl)-3-fluorobenzamide
PubChem CID107626139
Molecular FormulaC13H7BrClFINO
Molecular Weight454.46 g/mol
Exact Mass452.84
IUPAC Name4-bromo-N-(4-chloro-2-iodophenyl)-3-fluorobenzamide
SMILESO=C(Nc1ccc(Cl)cc1I)c1ccc(Br)c(F)c1
InChIInChI=1S/C13H7BrClFINO/c14-9-3-1-7(5-10(9)16)13(19)18-12-4-2-8(15)6-11(12)17/h1-6H,(H,18,19)
InChIKeyVVYWKAGXPDRJGQ-UHFFFAOYSA-N
XLogP5.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.46
LogP ≤ 55.10
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

3-bromo-N-(4-chloro-2-iodophenyl)benzamide
CID 107626124
4-bromo-N-(2-bromo-4-fluorophenyl)-3-fluorobenzamide
CID 47421840
4-bromo-3-chloro-N-(5-chloro-2-fluorophenyl)benzamide
CID 81308166
N-(4-chloro-2-fluorophenyl)-3,4-difluorobenzamide
CID 30430307
N-(4-bromo-2,3-dichlorophenyl)-4-fluoro-3-methylbenzamide
CID 107788752
4-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-3-fluorobenzamide
CID 104723980
4-tert-butyl-N-(4-chloro-2-iodophenyl)benzamide
CID 107640588
4-bromo-N-(4-bromo-3-fluorophenyl)-3-fluorobenzamide
CID 65435198
3-amino-4-bromo-N-(4-fluoro-2-iodophenyl)benzamide
CID 79768442
N-(4-chloro-2-iodophenyl)-4-hydrazinyl-3-methylbenzamide
CID 107632237
5-amino-2-bromo-N-(4-chloro-2-iodophenyl)benzamide
CID 107624145
4-(aminomethyl)-N-(4-chloro-2-iodophenyl)benzamide
CID 107625383

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-chloro-2-iodophenyl)-3-fluorobenzamide?
The IUPAC name of 4-bromo-N-(4-chloro-2-iodophenyl)-3-fluorobenzamide (CID 107626139) is 4-bromo-N-(4-chloro-2-iodophenyl)-3-fluorobenzamide.
What is the SMILES notation for 4-bromo-N-(4-chloro-2-iodophenyl)-3-fluorobenzamide?
The canonical SMILES for 4-bromo-N-(4-chloro-2-iodophenyl)-3-fluorobenzamide is O=C(Nc1ccc(Cl)cc1I)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-N-(4-chloro-2-iodophenyl)-3-fluorobenzamide?
The InChIKey is VVYWKAGXPDRJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClFINO/c14-9-3-1-7(5-10(9)16)13(19)18-12-4-2-8(15)6-11(12)17/h1-6H,(H,18,19).
What are the key properties of 4-bromo-N-(4-chloro-2-iodophenyl)-3-fluorobenzamide?
4-bromo-N-(4-chloro-2-iodophenyl)-3-fluorobenzamide has a molecular weight of 454.46 g/mol, XLogP of 5.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-chloro-2-iodophenyl)-3-fluorobenzamide is sourced from PubChem (CID 107626139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).