3,5-dibromo-N-(2-bromophenyl)-2-iodobenzamide

C13H7Br3INO — CID 3465386

IUPAC3,5-dibromo-N-(2-bromophenyl)-2-iodobenzamide
SMILESO=C(Nc1ccccc1Br)c1cc(Br)cc(Br)c1I
InChIInChI=1S/C13H7Br3INO/c14-7-5-8(12(17)10(16)6-7)13(19)18-11-4-2-1-3-9(11)15/h1-6H,(H,18,19)
InChIKeyVRHPSIAUUUHQPL-UHFFFAOYSA-N
MW559.82 g/mol
LogP5.83
Rot. Bonds2

About 3,5-dibromo-N-(2-bromophenyl)-2-iodobenzamide

3,5-dibromo-N-(2-bromophenyl)-2-iodobenzamide (PubChem CID 3465386) has the molecular formula C13H7Br3INO and a molecular weight of 559.82 g/mol. Its IUPAC name is 3,5-dibromo-N-(2-bromophenyl)-2-iodobenzamide.

Molecular Properties

Compound Name3,5-dibromo-N-(2-bromophenyl)-2-iodobenzamide
PubChem CID3465386
Molecular FormulaC13H7Br3INO
Molecular Weight559.82 g/mol
Exact Mass556.71
IUPAC Name3,5-dibromo-N-(2-bromophenyl)-2-iodobenzamide
SMILESO=C(Nc1ccccc1Br)c1cc(Br)cc(Br)c1I
InChIInChI=1S/C13H7Br3INO/c14-7-5-8(12(17)10(16)6-7)13(19)18-11-4-2-1-3-9(11)15/h1-6H,(H,18,19)
InChIKeyVRHPSIAUUUHQPL-UHFFFAOYSA-N
XLogP5.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.82
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2,5-dibromo-N-(2-bromophenyl)benzamide
CID 57379653
3,5-dibromo-N-(2-bromophenyl)benzamide
CID 107972328
2,4-dichloro-5-[(3,5-dibromo-2-iodobenzoyl)amino]benzoic acid
CID 43866230
3,5-dibromo-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-iodobenzamide
CID 4209824
N-(2-bromophenyl)-2,5-dimethylthiophene-3-carboxamide
CID 33142040
3-amino-N-(2-bromophenyl)naphthalene-2-carboxamide
CID 61209348
3,5-dibromo-2-iodo-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 3949777
N-(2-bromophenyl)-3-iodobenzamide
CID 3258895
2-bromo-N-(2-bromophenyl)furan-3-carboxamide
CID 106852264
3,5-dibromo-2-methoxy-N-(2-methoxyphenyl)benzamide
CID 3948715
3,5-dibromo-N-(2-chlorophenyl)-2-methoxybenzamide
CID 22777208
N-(2-aminophenyl)-3,5-dibromo-2-methoxybenzamide
CID 91687679

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-(2-bromophenyl)-2-iodobenzamide?
The IUPAC name of 3,5-dibromo-N-(2-bromophenyl)-2-iodobenzamide (CID 3465386) is 3,5-dibromo-N-(2-bromophenyl)-2-iodobenzamide.
What is the SMILES notation for 3,5-dibromo-N-(2-bromophenyl)-2-iodobenzamide?
The canonical SMILES for 3,5-dibromo-N-(2-bromophenyl)-2-iodobenzamide is O=C(Nc1ccccc1Br)c1cc(Br)cc(Br)c1I.
What is the InChIKey of 3,5-dibromo-N-(2-bromophenyl)-2-iodobenzamide?
The InChIKey is VRHPSIAUUUHQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Br3INO/c14-7-5-8(12(17)10(16)6-7)13(19)18-11-4-2-1-3-9(11)15/h1-6H,(H,18,19).
What are the key properties of 3,5-dibromo-N-(2-bromophenyl)-2-iodobenzamide?
3,5-dibromo-N-(2-bromophenyl)-2-iodobenzamide has a molecular weight of 559.82 g/mol, XLogP of 5.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-(2-bromophenyl)-2-iodobenzamide is sourced from PubChem (CID 3465386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).