2-bromo-N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-5-iodobenzamide

C14H8Br3IN2O2 — CID 137035120

IUPAC2-bromo-N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-5-iodobenzamide
SMILESO=C(NN=Cc1cc(Br)cc(Br)c1O)c1cc(I)ccc1Br
InChIInChI=1S/C14H8Br3IN2O2/c15-8-3-7(13(21)12(17)4-8)6-19-20-14(22)10-5-9(18)1-2-11(10)16/h1-6,21H,(H,20,22)
InChIKeyVFSVKQXJNRQHJP-UHFFFAOYSA-N
MW602.85 g/mol
LogP5.05
Rot. Bonds3

About 2-bromo-N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-5-iodobenzamide

2-bromo-N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-5-iodobenzamide (PubChem CID 137035120) has the molecular formula C14H8Br3IN2O2 and a molecular weight of 602.85 g/mol. Its IUPAC name is 2-bromo-N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-5-iodobenzamide.

Molecular Properties

Compound Name2-bromo-N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-5-iodobenzamide
PubChem CID137035120
Molecular FormulaC14H8Br3IN2O2
Molecular Weight602.85 g/mol
Exact Mass599.72
IUPAC Name2-bromo-N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-5-iodobenzamide
SMILESO=C(NN=Cc1cc(Br)cc(Br)c1O)c1cc(I)ccc1Br
InChIInChI=1S/C14H8Br3IN2O2/c15-8-3-7(13(21)12(17)4-8)6-19-20-14(22)10-5-9(18)1-2-11(10)16/h1-6,21H,(H,20,22)
InChIKeyVFSVKQXJNRQHJP-UHFFFAOYSA-N
XLogP5.05
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.85
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-iodobenzamide
CID 2247557
N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2,4-dimethylbenzamide
CID 135934987
N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 137061149
N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-methoxy-2-methylbenzamide
CID 137076884
N,N'-bis[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]heptanediamide
CID 136802008
N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-fluoro-4-(trifluoromethyl)benzamide
CID 137362061
N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 4504170
N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-4-(2-methylpropanoylamino)benzamide
CID 135460589
3,5-dibromo-N-[(E)-(4-bromophenyl)methylideneamino]-2-hydroxybenzamide
CID 5331660
N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-methoxybenzamide
CID 137172581
2-bromo-N-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135579521
N-(4-bromophenyl)-N'-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]oxamide
CID 135554311

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-5-iodobenzamide?
The IUPAC name of 2-bromo-N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-5-iodobenzamide (CID 137035120) is 2-bromo-N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-5-iodobenzamide.
What is the SMILES notation for 2-bromo-N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-5-iodobenzamide?
The canonical SMILES for 2-bromo-N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-5-iodobenzamide is O=C(NN=Cc1cc(Br)cc(Br)c1O)c1cc(I)ccc1Br.
What is the InChIKey of 2-bromo-N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-5-iodobenzamide?
The InChIKey is VFSVKQXJNRQHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Br3IN2O2/c15-8-3-7(13(21)12(17)4-8)6-19-20-14(22)10-5-9(18)1-2-11(10)16/h1-6,21H,(H,20,22).
What are the key properties of 2-bromo-N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-5-iodobenzamide?
2-bromo-N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-5-iodobenzamide has a molecular weight of 602.85 g/mol, XLogP of 5.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-5-iodobenzamide is sourced from PubChem (CID 137035120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).