2-bromo-N-(4-iodophenyl)-5-methylbenzamide

C14H11BrINO — CID 81109566

IUPAC2-bromo-N-(4-iodophenyl)-5-methylbenzamide
SMILESCc1ccc(Br)c(C(=O)Nc2ccc(I)cc2)c1
InChIInChI=1S/C14H11BrINO/c1-9-2-7-13(15)12(8-9)14(18)17-11-5-3-10(16)4-6-11/h2-8H,1H3,(H,17,18)
InChIKeyHZJYHUXYZQPTJL-UHFFFAOYSA-N
MW416.06 g/mol
LogP4.61
Rot. Bonds2

About 2-bromo-N-(4-iodophenyl)-5-methylbenzamide

2-bromo-N-(4-iodophenyl)-5-methylbenzamide (PubChem CID 81109566) has the molecular formula C14H11BrINO and a molecular weight of 416.06 g/mol. Its IUPAC name is 2-bromo-N-(4-iodophenyl)-5-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(4-iodophenyl)-5-methylbenzamide
PubChem CID81109566
Molecular FormulaC14H11BrINO
Molecular Weight416.06 g/mol
Exact Mass414.91
IUPAC Name2-bromo-N-(4-iodophenyl)-5-methylbenzamide
SMILESCc1ccc(Br)c(C(=O)Nc2ccc(I)cc2)c1
InChIInChI=1S/C14H11BrINO/c1-9-2-7-13(15)12(8-9)14(18)17-11-5-3-10(16)4-6-11/h2-8H,1H3,(H,17,18)
InChIKeyHZJYHUXYZQPTJL-UHFFFAOYSA-N
XLogP4.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.06
LogP ≤ 54.61
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

2-bromo-N-[4-(hydroxymethyl)phenyl]-5-methylbenzamide
CID 81112261
2-bromo-5-methyl-N-(4-propan-2-ylphenyl)benzamide
CID 81110310
2-iodo-N-(4-iodophenyl)-4-methylbenzamide
CID 100523539
2-bromo-5-methyl-N-(4-methylsulfonylphenyl)benzamide
CID 81003356
2-bromo-N-[4-[(dimethylamino)methyl]phenyl]-5-methylbenzamide
CID 80973223
2-bromo-N-(3,5-dichlorophenyl)-5-methylbenzamide
CID 81110211
4-[(2-bromo-5-methylbenzoyl)amino]-2-methylbenzoic acid
CID 81110247
[2-[(4-iodophenyl)carbamoyl]-4-methylphenyl] acetate
CID 129292859
N-(3-amino-4-chlorophenyl)-2-bromo-5-methylbenzamide
CID 81110900
2-bromo-N-(3-carbamoyl-4-fluorophenyl)-5-methylbenzamide
CID 80973481
N-(4-iodophenyl)-5-methyl-2-(propylamino)benzamide
CID 63499323
2-bromo-N-(2,3-dihydro-1H-indol-5-yl)-5-methylbenzamide
CID 81112809

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-iodophenyl)-5-methylbenzamide?
The IUPAC name of 2-bromo-N-(4-iodophenyl)-5-methylbenzamide (CID 81109566) is 2-bromo-N-(4-iodophenyl)-5-methylbenzamide.
What is the SMILES notation for 2-bromo-N-(4-iodophenyl)-5-methylbenzamide?
The canonical SMILES for 2-bromo-N-(4-iodophenyl)-5-methylbenzamide is Cc1ccc(Br)c(C(=O)Nc2ccc(I)cc2)c1.
What is the InChIKey of 2-bromo-N-(4-iodophenyl)-5-methylbenzamide?
The InChIKey is HZJYHUXYZQPTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrINO/c1-9-2-7-13(15)12(8-9)14(18)17-11-5-3-10(16)4-6-11/h2-8H,1H3,(H,17,18).
What are the key properties of 2-bromo-N-(4-iodophenyl)-5-methylbenzamide?
2-bromo-N-(4-iodophenyl)-5-methylbenzamide has a molecular weight of 416.06 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-iodophenyl)-5-methylbenzamide is sourced from PubChem (CID 81109566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).