N-(2,6-dibromo-4-methylphenyl)-2-hydroxy-5-iodobenzamide

C14H10Br2INO2 — CID 107731650

IUPACN-(2,6-dibromo-4-methylphenyl)-2-hydroxy-5-iodobenzamide
SMILESCc1cc(Br)c(NC(=O)c2cc(I)ccc2O)c(Br)c1
InChIInChI=1S/C14H10Br2INO2/c1-7-4-10(15)13(11(16)5-7)18-14(20)9-6-8(17)2-3-12(9)19/h2-6,19H,1H3,(H,18,20)
InChIKeyRKXACBJHDFUIFJ-UHFFFAOYSA-N
MW510.95 g/mol
LogP5.08
Rot. Bonds2

About N-(2,6-dibromo-4-methylphenyl)-2-hydroxy-5-iodobenzamide

N-(2,6-dibromo-4-methylphenyl)-2-hydroxy-5-iodobenzamide (PubChem CID 107731650) has the molecular formula C14H10Br2INO2 and a molecular weight of 510.95 g/mol. Its IUPAC name is N-(2,6-dibromo-4-methylphenyl)-2-hydroxy-5-iodobenzamide.

Molecular Properties

Compound NameN-(2,6-dibromo-4-methylphenyl)-2-hydroxy-5-iodobenzamide
PubChem CID107731650
Molecular FormulaC14H10Br2INO2
Molecular Weight510.95 g/mol
Exact Mass508.81
IUPAC NameN-(2,6-dibromo-4-methylphenyl)-2-hydroxy-5-iodobenzamide
SMILESCc1cc(Br)c(NC(=O)c2cc(I)ccc2O)c(Br)c1
InChIInChI=1S/C14H10Br2INO2/c1-7-4-10(15)13(11(16)5-7)18-14(20)9-6-8(17)2-3-12(9)19/h2-6,19H,1H3,(H,18,20)
InChIKeyRKXACBJHDFUIFJ-UHFFFAOYSA-N
XLogP5.08
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.95
LogP ≤ 55.08
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

N-(2,6-dibromo-4-methylphenyl)-2,5-dihydroxybenzamide
CID 107722300
N-(2,6-dibromo-4-methylphenyl)-4-iodobenzamide
CID 60629541
N-(2-bromo-6-chloro-4-fluorophenyl)-2-hydroxy-5-iodobenzamide
CID 107731622
2-hydroxy-5-iodo-N-(4-iodo-2-methylphenyl)benzamide
CID 86251688
3-[(2-hydroxy-5-iodobenzoyl)amino]-4-methylthiophene-2-carboxylic acid
CID 107731465
N-(2-amino-6-methylphenyl)-2-hydroxy-5-iodobenzamide
CID 107731116
2-chloro-N-(2,6-dibromo-4-methylphenyl)benzamide
CID 2804969
3-chloro-N-(2,6-dibromo-4-methylphenyl)-4-hydroxybenzamide
CID 28881639
N-(2-amino-4,5-dimethylphenyl)-2-hydroxy-5-iodobenzamide
CID 107731159
N-(4-bromo-2-chlorophenyl)-2-hydroxy-5-iodobenzamide
CID 107731654
2-bromo-N-(2-bromo-4-iodophenyl)-4-methylbenzamide
CID 114259017
N-(2,6-dibromo-4-methylphenyl)-2-(methylamino)benzamide
CID 61377648

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dibromo-4-methylphenyl)-2-hydroxy-5-iodobenzamide?
The IUPAC name of N-(2,6-dibromo-4-methylphenyl)-2-hydroxy-5-iodobenzamide (CID 107731650) is N-(2,6-dibromo-4-methylphenyl)-2-hydroxy-5-iodobenzamide.
What is the SMILES notation for N-(2,6-dibromo-4-methylphenyl)-2-hydroxy-5-iodobenzamide?
The canonical SMILES for N-(2,6-dibromo-4-methylphenyl)-2-hydroxy-5-iodobenzamide is Cc1cc(Br)c(NC(=O)c2cc(I)ccc2O)c(Br)c1.
What is the InChIKey of N-(2,6-dibromo-4-methylphenyl)-2-hydroxy-5-iodobenzamide?
The InChIKey is RKXACBJHDFUIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2INO2/c1-7-4-10(15)13(11(16)5-7)18-14(20)9-6-8(17)2-3-12(9)19/h2-6,19H,1H3,(H,18,20).
What are the key properties of N-(2,6-dibromo-4-methylphenyl)-2-hydroxy-5-iodobenzamide?
N-(2,6-dibromo-4-methylphenyl)-2-hydroxy-5-iodobenzamide has a molecular weight of 510.95 g/mol, XLogP of 5.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dibromo-4-methylphenyl)-2-hydroxy-5-iodobenzamide is sourced from PubChem (CID 107731650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).