N-(3-bromo-4-iodophenyl)-3,5-dichlorobenzamide

C13H7BrCl2INO — CID 114262137

IUPACN-(3-bromo-4-iodophenyl)-3,5-dichlorobenzamide
SMILESO=C(Nc1ccc(I)c(Br)c1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H7BrCl2INO/c14-11-6-10(1-2-12(11)17)18-13(19)7-3-8(15)5-9(16)4-7/h1-6H,(H,18,19)
InChIKeyIXSZWXRCGUJQAO-UHFFFAOYSA-N
MW470.92 g/mol
LogP5.61
Rot. Bonds2

About N-(3-bromo-4-iodophenyl)-3,5-dichlorobenzamide

N-(3-bromo-4-iodophenyl)-3,5-dichlorobenzamide (PubChem CID 114262137) has the molecular formula C13H7BrCl2INO and a molecular weight of 470.92 g/mol. Its IUPAC name is N-(3-bromo-4-iodophenyl)-3,5-dichlorobenzamide.

Molecular Properties

Compound NameN-(3-bromo-4-iodophenyl)-3,5-dichlorobenzamide
PubChem CID114262137
Molecular FormulaC13H7BrCl2INO
Molecular Weight470.92 g/mol
Exact Mass468.81
IUPAC NameN-(3-bromo-4-iodophenyl)-3,5-dichlorobenzamide
SMILESO=C(Nc1ccc(I)c(Br)c1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H7BrCl2INO/c14-11-6-10(1-2-12(11)17)18-13(19)7-3-8(15)5-9(16)4-7/h1-6H,(H,18,19)
InChIKeyIXSZWXRCGUJQAO-UHFFFAOYSA-N
XLogP5.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.92
LogP ≤ 55.61
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

3,5-dichloro-N-(3-iodo-4-methylphenyl)benzamide
CID 7925565
3,5-dichloro-N-(4-chlorophenyl)benzamide
CID 3382216
3-bromo-5-chloro-N-(3-iodo-4-methylphenyl)benzamide
CID 107951955
N-(4-bromo-3-chlorophenyl)-3-chloro-4-iodobenzamide
CID 107613087
N-(3-bromo-4-iodophenyl)-4-chloro-1-methylpyrrole-2-carboxamide
CID 114262157
N-(3-amino-4-bromophenyl)-3-chloro-4-iodobenzamide
CID 103218765
3,5-dichloro-N-[4-(4-chlorobenzoyl)phenyl]benzamide
CID 14146500
3,5-dichloro-N-[4-[[4-[(3,5-dichlorobenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 3995292
N-(4-anilinophenyl)-3,5-dichlorobenzamide
CID 17133461
4-bromo-3-[(3,5-dichlorobenzoyl)amino]benzoic acid
CID 107812540
N-(2-bromo-4-fluorophenyl)-3,5-dichlorobenzamide
CID 28938547
4-chloro-N-(4-iodo-3-methylphenyl)benzamide
CID 587314

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-iodophenyl)-3,5-dichlorobenzamide?
The IUPAC name of N-(3-bromo-4-iodophenyl)-3,5-dichlorobenzamide (CID 114262137) is N-(3-bromo-4-iodophenyl)-3,5-dichlorobenzamide.
What is the SMILES notation for N-(3-bromo-4-iodophenyl)-3,5-dichlorobenzamide?
The canonical SMILES for N-(3-bromo-4-iodophenyl)-3,5-dichlorobenzamide is O=C(Nc1ccc(I)c(Br)c1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(3-bromo-4-iodophenyl)-3,5-dichlorobenzamide?
The InChIKey is IXSZWXRCGUJQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrCl2INO/c14-11-6-10(1-2-12(11)17)18-13(19)7-3-8(15)5-9(16)4-7/h1-6H,(H,18,19).
What are the key properties of N-(3-bromo-4-iodophenyl)-3,5-dichlorobenzamide?
N-(3-bromo-4-iodophenyl)-3,5-dichlorobenzamide has a molecular weight of 470.92 g/mol, XLogP of 5.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-iodophenyl)-3,5-dichlorobenzamide is sourced from PubChem (CID 114262137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).