3,6-dibromo-2-hydroxy-N-(3-iodophenyl)benzamide

C13H8Br2INO2 — CID 46214980

IUPAC3,6-dibromo-2-hydroxy-N-(3-iodophenyl)benzamide
SMILESO=C(Nc1cccc(I)c1)c1c(Br)ccc(Br)c1O
InChIInChI=1S/C13H8Br2INO2/c14-9-4-5-10(15)12(18)11(9)13(19)17-8-3-1-2-7(16)6-8/h1-6,18H,(H,17,19)
InChIKeyRVPRWTZRDFQSSX-UHFFFAOYSA-N
MW496.92 g/mol
LogP4.77
Rot. Bonds2

About 3,6-dibromo-2-hydroxy-N-(3-iodophenyl)benzamide

3,6-dibromo-2-hydroxy-N-(3-iodophenyl)benzamide (PubChem CID 46214980) has the molecular formula C13H8Br2INO2 and a molecular weight of 496.92 g/mol. Its IUPAC name is 3,6-dibromo-2-hydroxy-N-(3-iodophenyl)benzamide.

Molecular Properties

Compound Name3,6-dibromo-2-hydroxy-N-(3-iodophenyl)benzamide
PubChem CID46214980
Molecular FormulaC13H8Br2INO2
Molecular Weight496.92 g/mol
Exact Mass494.80
IUPAC Name3,6-dibromo-2-hydroxy-N-(3-iodophenyl)benzamide
SMILESO=C(Nc1cccc(I)c1)c1c(Br)ccc(Br)c1O
InChIInChI=1S/C13H8Br2INO2/c14-9-4-5-10(15)12(18)11(9)13(19)17-8-3-1-2-7(16)6-8/h1-6,18H,(H,17,19)
InChIKeyRVPRWTZRDFQSSX-UHFFFAOYSA-N
XLogP4.77
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.92
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-3-hydroxy-N-(3-iodophenyl)benzamide
CID 113342592
3,5-diamino-N-(3-iodophenyl)benzamide
CID 61095528
5-bromo-2-iodo-N-(3-iodophenyl)benzamide
CID 103600021
5-bromo-N-(3-iodophenyl)furan-2-carboxamide
CID 7928389
2-bromo-5-[(3-iodophenyl)carbamoylamino]benzoic acid
CID 115296659
5-bromo-N-(3-iodophenyl)-2-methylbenzamide
CID 65308257
2,3-difluoro-N-(3-iodophenyl)benzamide
CID 62650350
N-(3-iodophenyl)-1H-pyrrole-2-carboxamide
CID 51210999
5-benzamido-1-N,3-N-bis(3-iodophenyl)benzene-1,3-dicarboxamide
CID 3501081
N-(4-amino-3-bromophenyl)-3-iodobenzamide
CID 82861642
3-carbamothioyl-N-(3-iodophenyl)benzamide
CID 28977640
6-chloro-N-(3-iodophenyl)pyridine-2-carboxamide
CID 55052347

Frequently Asked Questions

What is the IUPAC name of 3,6-dibromo-2-hydroxy-N-(3-iodophenyl)benzamide?
The IUPAC name of 3,6-dibromo-2-hydroxy-N-(3-iodophenyl)benzamide (CID 46214980) is 3,6-dibromo-2-hydroxy-N-(3-iodophenyl)benzamide.
What is the SMILES notation for 3,6-dibromo-2-hydroxy-N-(3-iodophenyl)benzamide?
The canonical SMILES for 3,6-dibromo-2-hydroxy-N-(3-iodophenyl)benzamide is O=C(Nc1cccc(I)c1)c1c(Br)ccc(Br)c1O.
What is the InChIKey of 3,6-dibromo-2-hydroxy-N-(3-iodophenyl)benzamide?
The InChIKey is RVPRWTZRDFQSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br2INO2/c14-9-4-5-10(15)12(18)11(9)13(19)17-8-3-1-2-7(16)6-8/h1-6,18H,(H,17,19).
What are the key properties of 3,6-dibromo-2-hydroxy-N-(3-iodophenyl)benzamide?
3,6-dibromo-2-hydroxy-N-(3-iodophenyl)benzamide has a molecular weight of 496.92 g/mol, XLogP of 4.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dibromo-2-hydroxy-N-(3-iodophenyl)benzamide is sourced from PubChem (CID 46214980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).