N-(4-bromo-2,6-difluorophenyl)-3-chloro-4-iodobenzamide

C13H6BrClF2INO — CID 103220871

IUPACN-(4-bromo-2,6-difluorophenyl)-3-chloro-4-iodobenzamide
SMILESO=C(Nc1c(F)cc(Br)cc1F)c1ccc(I)c(Cl)c1
InChIInChI=1S/C13H6BrClF2INO/c14-7-4-9(16)12(10(17)5-7)19-13(20)6-1-2-11(18)8(15)3-6/h1-5H,(H,19,20)
InChIKeyYTYIMYCTCIOMRK-UHFFFAOYSA-N
MW472.45 g/mol
LogP5.24
Rot. Bonds2

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

N-(4-bromo-2,6-difluorophenyl)-3-chloro-4-iodobenzamide (PubChem CID 103220871) has the molecular formula C13H6BrClF2INO and a molecular weight of 472.45 g/mol. Its IUPAC name is N-(4-bromo-2,6-difluorophenyl)-3-chloro-4-iodobenzamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-difluorophenyl)-3-chloro-4-iodobenzamide
PubChem CID103220871
Molecular FormulaC13H6BrClF2INO
Molecular Weight472.45 g/mol
Exact Mass470.83
IUPAC NameN-(4-bromo-2,6-difluorophenyl)-3-chloro-4-iodobenzamide
SMILESO=C(Nc1c(F)cc(Br)cc1F)c1ccc(I)c(Cl)c1
InChIInChI=1S/C13H6BrClF2INO/c14-7-4-9(16)12(10(17)5-7)19-13(20)6-1-2-11(18)8(15)3-6/h1-5H,(H,19,20)
InChIKeyYTYIMYCTCIOMRK-UHFFFAOYSA-N
XLogP5.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.45
LogP ≤ 55.24
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-iodobenzamide
CID 107600677
3-chloro-4-iodo-N-(2,4,6-triiodophenyl)benzamide
CID 103221386
3,5-dibromo-N-(4-bromo-2,6-difluorophenyl)benzamide
CID 107972354
N-(4-bromo-2,6-difluorophenyl)-2-chloropyridine-4-carboxamide
CID 65469908
N-(4-bromo-2,6-dichlorophenyl)-4-fluorobenzamide
CID 60651944
N-(4-bromo-3-chlorophenyl)-3-chloro-4-iodobenzamide
CID 107613087
3-chloro-4-iodo-N-(2,4,5-trichlorophenyl)benzamide
CID 103220934
N-(4-amino-2,6-dimethylphenyl)-3-chloro-4-iodobenzamide
CID 103218767
N-(2-amino-6-chlorophenyl)-3-chloro-4-iodobenzamide
CID 103218725
N-(4-carbamothioyl-2-fluorophenyl)-3-chloro-4-iodobenzamide
CID 103220815
2-bromo-N-(4-bromo-2,6-difluorophenyl)pyridine-4-carboxamide
CID 103759038
N-(3-amino-4-bromophenyl)-3-chloro-4-iodobenzamide
CID 103218765

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-difluorophenyl)-3-chloro-4-iodobenzamide?
The IUPAC name of N-(4-bromo-2,6-difluorophenyl)-3-chloro-4-iodobenzamide (CID 103220871) is N-(4-bromo-2,6-difluorophenyl)-3-chloro-4-iodobenzamide.
What is the SMILES notation for N-(4-bromo-2,6-difluorophenyl)-3-chloro-4-iodobenzamide?
The canonical SMILES for N-(4-bromo-2,6-difluorophenyl)-3-chloro-4-iodobenzamide is O=C(Nc1c(F)cc(Br)cc1F)c1ccc(I)c(Cl)c1.
What is the InChIKey of N-(4-bromo-2,6-difluorophenyl)-3-chloro-4-iodobenzamide?
The InChIKey is YTYIMYCTCIOMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrClF2INO/c14-7-4-9(16)12(10(17)5-7)19-13(20)6-1-2-11(18)8(15)3-6/h1-5H,(H,19,20).
What are the key properties of N-(4-bromo-2,6-difluorophenyl)-3-chloro-4-iodobenzamide?
N-(4-bromo-2,6-difluorophenyl)-3-chloro-4-iodobenzamide has a molecular weight of 472.45 g/mol, XLogP of 5.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-difluorophenyl)-3-chloro-4-iodobenzamide is sourced from PubChem (CID 103220871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).