3-bromo-4-chloro-N-(3-iodo-4-methylphenyl)benzamide

C14H10BrClINO — CID 107999380

IUPAC3-bromo-4-chloro-N-(3-iodo-4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(Cl)c(Br)c2)cc1I
InChIInChI=1S/C14H10BrClINO/c1-8-2-4-10(7-13(8)17)18-14(19)9-3-5-12(16)11(15)6-9/h2-7H,1H3,(H,18,19)
InChIKeyLTLQBDKVEPLHOI-UHFFFAOYSA-N
MW450.50 g/mol
LogP5.27
Rot. Bonds2

About 3-bromo-4-chloro-N-(3-iodo-4-methylphenyl)benzamide

3-bromo-4-chloro-N-(3-iodo-4-methylphenyl)benzamide (PubChem CID 107999380) has the molecular formula C14H10BrClINO and a molecular weight of 450.50 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-(3-iodo-4-methylphenyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-(3-iodo-4-methylphenyl)benzamide
PubChem CID107999380
Molecular FormulaC14H10BrClINO
Molecular Weight450.50 g/mol
Exact Mass448.87
IUPAC Name3-bromo-4-chloro-N-(3-iodo-4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(Cl)c(Br)c2)cc1I
InChIInChI=1S/C14H10BrClINO/c1-8-2-4-10(7-13(8)17)18-14(19)9-3-5-12(16)11(15)6-9/h2-7H,1H3,(H,18,19)
InChIKeyLTLQBDKVEPLHOI-UHFFFAOYSA-N
XLogP5.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.50
LogP ≤ 55.27
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

3-bromo-N-(3-chloro-4-methylphenyl)-4-methylbenzamide
CID 952306
3-bromo-4-chloro-N-(3,5-dimethylphenyl)benzamide
CID 107999218
3-bromo-N-(3-bromo-4-methylphenyl)-4-methylbenzamide
CID 81471558
3,5-dichloro-N-(3-iodo-4-methylphenyl)benzamide
CID 7925565
3-bromo-5-chloro-N-(3-iodo-4-methylphenyl)benzamide
CID 107951955
3-amino-N-(3-iodo-4-methylphenyl)-4-methylbenzamide
CID 43707949
2,6-dichloro-N-(3-iodo-4-methylphenyl)pyridine-4-carboxamide
CID 26781715
4-bromo-3-chloro-N-(3-chloro-4-methylphenyl)benzamide
CID 81307032
N-(4-bromo-3-methylphenyl)-3-chloro-4-methylbenzamide
CID 2296154
3-bromo-4-chloro-N-(2-methyl-4-pyridinyl)benzamide
CID 110678414
N-(4-acetamidophenyl)-3-iodo-4-methylbenzamide
CID 1014195
N-(3-chlorophenyl)-3-iodo-4-methylbenzamide
CID 1014193

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-(3-iodo-4-methylphenyl)benzamide?
The IUPAC name of 3-bromo-4-chloro-N-(3-iodo-4-methylphenyl)benzamide (CID 107999380) is 3-bromo-4-chloro-N-(3-iodo-4-methylphenyl)benzamide.
What is the SMILES notation for 3-bromo-4-chloro-N-(3-iodo-4-methylphenyl)benzamide?
The canonical SMILES for 3-bromo-4-chloro-N-(3-iodo-4-methylphenyl)benzamide is Cc1ccc(NC(=O)c2ccc(Cl)c(Br)c2)cc1I.
What is the InChIKey of 3-bromo-4-chloro-N-(3-iodo-4-methylphenyl)benzamide?
The InChIKey is LTLQBDKVEPLHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClINO/c1-8-2-4-10(7-13(8)17)18-14(19)9-3-5-12(16)11(15)6-9/h2-7H,1H3,(H,18,19).
What are the key properties of 3-bromo-4-chloro-N-(3-iodo-4-methylphenyl)benzamide?
3-bromo-4-chloro-N-(3-iodo-4-methylphenyl)benzamide has a molecular weight of 450.50 g/mol, XLogP of 5.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-(3-iodo-4-methylphenyl)benzamide is sourced from PubChem (CID 107999380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).