N-(2-bromo-6-fluorophenyl)-3-chloro-4-iodobenzamide

C13H7BrClFINO — CID 107600677

IUPACN-(2-bromo-6-fluorophenyl)-3-chloro-4-iodobenzamide
SMILESO=C(Nc1c(F)cccc1Br)c1ccc(I)c(Cl)c1
InChIInChI=1S/C13H7BrClFINO/c14-8-2-1-3-10(16)12(8)18-13(19)7-4-5-11(17)9(15)6-7/h1-6H,(H,18,19)
InChIKeyIBQIVSDPZCDKCE-UHFFFAOYSA-N
MW454.46 g/mol
LogP5.10
Rot. Bonds2

About N-(2-bromo-6-fluorophenyl)-3-chloro-4-iodobenzamide

N-(2-bromo-6-fluorophenyl)-3-chloro-4-iodobenzamide (PubChem CID 107600677) has the molecular formula C13H7BrClFINO and a molecular weight of 454.46 g/mol. Its IUPAC name is N-(2-bromo-6-fluorophenyl)-3-chloro-4-iodobenzamide.

Molecular Properties

Compound NameN-(2-bromo-6-fluorophenyl)-3-chloro-4-iodobenzamide
PubChem CID107600677
Molecular FormulaC13H7BrClFINO
Molecular Weight454.46 g/mol
Exact Mass452.84
IUPAC NameN-(2-bromo-6-fluorophenyl)-3-chloro-4-iodobenzamide
SMILESO=C(Nc1c(F)cccc1Br)c1ccc(I)c(Cl)c1
InChIInChI=1S/C13H7BrClFINO/c14-8-2-1-3-10(16)12(8)18-13(19)7-4-5-11(17)9(15)6-7/h1-6H,(H,18,19)
InChIKeyIBQIVSDPZCDKCE-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

N-(2-bromo-6-fluorophenyl)-3-chloro-4-hydroxybenzamide
CID 107600810
3-amino-N-(2-bromo-6-fluorophenyl)-4-chlorobenzamide
CID 107596191
N-(4-bromo-2,6-difluorophenyl)-3-chloro-4-iodobenzamide
CID 103220871
N-(2-bromo-6-fluorophenyl)-4-fluorobenzamide
CID 103741284
4-bromo-3-chloro-N-(2-fluoro-6-methylphenyl)benzamide
CID 113352699
3-chloro-4-iodo-N-(2,4,6-triiodophenyl)benzamide
CID 103221386
3-amino-N-(2-bromo-6-fluorophenyl)-4-(dimethylamino)benzamide
CID 107596229
N-(2-amino-6-chlorophenyl)-3-chloro-4-iodobenzamide
CID 103218725
3,5-diamino-N-(2-bromo-6-fluorophenyl)benzamide
CID 107596194
2-bromo-N-(2-bromo-6-fluorophenyl)-4-chlorobenzamide
CID 103765558
N-(4-bromo-3-chlorophenyl)-3-chloro-4-iodobenzamide
CID 107613087
N-[3-bromo-2-(methoxymethyl)phenyl]-3-chloro-4-iodobenzamide
CID 103221890

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-fluorophenyl)-3-chloro-4-iodobenzamide?
The IUPAC name of N-(2-bromo-6-fluorophenyl)-3-chloro-4-iodobenzamide (CID 107600677) is N-(2-bromo-6-fluorophenyl)-3-chloro-4-iodobenzamide.
What is the SMILES notation for N-(2-bromo-6-fluorophenyl)-3-chloro-4-iodobenzamide?
The canonical SMILES for N-(2-bromo-6-fluorophenyl)-3-chloro-4-iodobenzamide is O=C(Nc1c(F)cccc1Br)c1ccc(I)c(Cl)c1.
What is the InChIKey of N-(2-bromo-6-fluorophenyl)-3-chloro-4-iodobenzamide?
The InChIKey is IBQIVSDPZCDKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClFINO/c14-8-2-1-3-10(16)12(8)18-13(19)7-4-5-11(17)9(15)6-7/h1-6H,(H,18,19).
What are the key properties of N-(2-bromo-6-fluorophenyl)-3-chloro-4-iodobenzamide?
N-(2-bromo-6-fluorophenyl)-3-chloro-4-iodobenzamide 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 N-(2-bromo-6-fluorophenyl)-3-chloro-4-iodobenzamide is sourced from PubChem (CID 107600677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).