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

C14H10Br2INO — CID 60629541

IUPACN-(2,6-dibromo-4-methylphenyl)-4-iodobenzamide
SMILESCc1cc(Br)c(NC(=O)c2ccc(I)cc2)c(Br)c1
InChIInChI=1S/C14H10Br2INO/c1-8-6-11(15)13(12(16)7-8)18-14(19)9-2-4-10(17)5-3-9/h2-7H,1H3,(H,18,19)
InChIKeyYAPGCHHXJRNCQJ-UHFFFAOYSA-N
MW494.95 g/mol
LogP5.38
Rot. Bonds2

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

N-(2,6-dibromo-4-methylphenyl)-4-iodobenzamide (PubChem CID 60629541) has the molecular formula C14H10Br2INO and a molecular weight of 494.95 g/mol. Its IUPAC name is N-(2,6-dibromo-4-methylphenyl)-4-iodobenzamide.

Molecular Properties

Compound NameN-(2,6-dibromo-4-methylphenyl)-4-iodobenzamide
PubChem CID60629541
Molecular FormulaC14H10Br2INO
Molecular Weight494.95 g/mol
Exact Mass492.82
IUPAC NameN-(2,6-dibromo-4-methylphenyl)-4-iodobenzamide
SMILESCc1cc(Br)c(NC(=O)c2ccc(I)cc2)c(Br)c1
InChIInChI=1S/C14H10Br2INO/c1-8-6-11(15)13(12(16)7-8)18-14(19)9-2-4-10(17)5-3-9/h2-7H,1H3,(H,18,19)
InChIKeyYAPGCHHXJRNCQJ-UHFFFAOYSA-N
XLogP5.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.95
LogP ≤ 55.38
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

N-(2,6-dibromo-4-methylphenyl)-5-iodothiophene-3-carboxamide
CID 79694128
N-(2,6-dibromo-4-methylphenyl)-2-hydroxy-5-iodobenzamide
CID 107731650
3-chloro-N-(2,6-dibromo-4-methylphenyl)-4-hydroxybenzamide
CID 28881639
4-iodo-N-(2,4,6-triiodophenyl)benzamide
CID 63525460
N-(2,6-dibromo-4-methylphenyl)-6-fluoropyridine-3-carboxamide
CID 63973532
4-bromo-N-(4-iodo-2-methylphenyl)benzamide
CID 1379401
N-(4,6-dimethyl-2-pyridinyl)-4-iodobenzamide
CID 115750615
3-(chloromethyl)-N-(2,6-dibromo-4-methylphenyl)benzamide
CID 43333549
4-iodo-N-(2,3,4,5,6-pentafluorophenyl)benzamide
CID 78909417
4-amino-3-methyl-N-(2,4,6-tribromophenyl)benzamide
CID 28991635
N-(2,6-dibromo-4-methylphenyl)-2,6-difluorobenzamide
CID 4116047
N-(2,6-dibromo-4-methylphenyl)-2,5-dihydroxybenzamide
CID 107722300

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dibromo-4-methylphenyl)-4-iodobenzamide?
The IUPAC name of N-(2,6-dibromo-4-methylphenyl)-4-iodobenzamide (CID 60629541) is N-(2,6-dibromo-4-methylphenyl)-4-iodobenzamide.
What is the SMILES notation for N-(2,6-dibromo-4-methylphenyl)-4-iodobenzamide?
The canonical SMILES for N-(2,6-dibromo-4-methylphenyl)-4-iodobenzamide is Cc1cc(Br)c(NC(=O)c2ccc(I)cc2)c(Br)c1.
What is the InChIKey of N-(2,6-dibromo-4-methylphenyl)-4-iodobenzamide?
The InChIKey is YAPGCHHXJRNCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2INO/c1-8-6-11(15)13(12(16)7-8)18-14(19)9-2-4-10(17)5-3-9/h2-7H,1H3,(H,18,19).
What are the key properties of N-(2,6-dibromo-4-methylphenyl)-4-iodobenzamide?
N-(2,6-dibromo-4-methylphenyl)-4-iodobenzamide has a molecular weight of 494.95 g/mol, XLogP of 5.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dibromo-4-methylphenyl)-4-iodobenzamide is sourced from PubChem (CID 60629541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).