2-bromo-N-(2-bromo-4-iodophenyl)-4-methylbenzamide

C14H10Br2INO — CID 114259017

IUPAC2-bromo-N-(2-bromo-4-iodophenyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(I)cc2Br)c(Br)c1
InChIInChI=1S/C14H10Br2INO/c1-8-2-4-10(11(15)6-8)14(19)18-13-5-3-9(17)7-12(13)16/h2-7H,1H3,(H,18,19)
InChIKeyGGWJREJTEPQUFL-UHFFFAOYSA-N
MW494.95 g/mol
LogP5.38
Rot. Bonds2

About 2-bromo-N-(2-bromo-4-iodophenyl)-4-methylbenzamide

2-bromo-N-(2-bromo-4-iodophenyl)-4-methylbenzamide (PubChem CID 114259017) has the molecular formula C14H10Br2INO and a molecular weight of 494.95 g/mol. Its IUPAC name is 2-bromo-N-(2-bromo-4-iodophenyl)-4-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(2-bromo-4-iodophenyl)-4-methylbenzamide
PubChem CID114259017
Molecular FormulaC14H10Br2INO
Molecular Weight494.95 g/mol
Exact Mass492.82
IUPAC Name2-bromo-N-(2-bromo-4-iodophenyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(I)cc2Br)c(Br)c1
InChIInChI=1S/C14H10Br2INO/c1-8-2-4-10(11(15)6-8)14(19)18-13-5-3-9(17)7-12(13)16/h2-7H,1H3,(H,18,19)
InChIKeyGGWJREJTEPQUFL-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-bromo-4-methylphenyl)-2-fluoro-4-hydroxybenzamide
CID 107676274
2-bromo-N-(2,4-dibromo-5-methoxyphenyl)-4-methylbenzamide
CID 103414573
2-bromo-4-iodo-N-methylbenzamide
CID 155462102
N-(4-amino-2,5-dimethylphenyl)-2-bromo-4-methylbenzamide
CID 103144537
N-(2-bromo-4-methylphenyl)-3,5-dichlorobenzamide
CID 4271620
N-(2-bromo-4-chlorophenyl)-2,4-dimethylbenzamide
CID 81028266
4-bromo-3-[(2-bromo-4-methylbenzoyl)amino]benzoic acid
CID 107812622
2-amino-N-(2-bromo-4-methylphenyl)-3-fluorobenzamide
CID 62649187
2-amino-N-(2-bromo-4-methylphenyl)-5-fluorobenzamide
CID 43245616
N-(2-bromo-4-methylphenyl)imidazo[1,2-a]pyridine-8-carboxamide
CID 110704511
2-bromo-4-chloro-N-(2-chloro-4-iodophenyl)benzamide
CID 114024506
N-(2-chloro-4-iodophenyl)-2,4-dimethylbenzamide
CID 1287536

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-bromo-4-iodophenyl)-4-methylbenzamide?
The IUPAC name of 2-bromo-N-(2-bromo-4-iodophenyl)-4-methylbenzamide (CID 114259017) is 2-bromo-N-(2-bromo-4-iodophenyl)-4-methylbenzamide.
What is the SMILES notation for 2-bromo-N-(2-bromo-4-iodophenyl)-4-methylbenzamide?
The canonical SMILES for 2-bromo-N-(2-bromo-4-iodophenyl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(I)cc2Br)c(Br)c1.
What is the InChIKey of 2-bromo-N-(2-bromo-4-iodophenyl)-4-methylbenzamide?
The InChIKey is GGWJREJTEPQUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2INO/c1-8-2-4-10(11(15)6-8)14(19)18-13-5-3-9(17)7-12(13)16/h2-7H,1H3,(H,18,19).
What are the key properties of 2-bromo-N-(2-bromo-4-iodophenyl)-4-methylbenzamide?
2-bromo-N-(2-bromo-4-iodophenyl)-4-methylbenzamide 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 2-bromo-N-(2-bromo-4-iodophenyl)-4-methylbenzamide is sourced from PubChem (CID 114259017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).