3-bromo-N-(4-fluoro-2-iodophenyl)-4-methoxybenzamide

C14H10BrFINO2 — CID 79765984

IUPAC3-bromo-N-(4-fluoro-2-iodophenyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(F)cc2I)cc1Br
InChIInChI=1S/C14H10BrFINO2/c1-20-13-5-2-8(6-10(13)15)14(19)18-12-4-3-9(16)7-11(12)17/h2-7H,1H3,(H,18,19)
InChIKeyLNSISFQKTPUSKP-UHFFFAOYSA-N
MW450.05 g/mol
LogP4.45
Rot. Bonds3

About 3-bromo-N-(4-fluoro-2-iodophenyl)-4-methoxybenzamide

3-bromo-N-(4-fluoro-2-iodophenyl)-4-methoxybenzamide (PubChem CID 79765984) has the molecular formula C14H10BrFINO2 and a molecular weight of 450.05 g/mol. Its IUPAC name is 3-bromo-N-(4-fluoro-2-iodophenyl)-4-methoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-(4-fluoro-2-iodophenyl)-4-methoxybenzamide
PubChem CID79765984
Molecular FormulaC14H10BrFINO2
Molecular Weight450.05 g/mol
Exact Mass448.89
IUPAC Name3-bromo-N-(4-fluoro-2-iodophenyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(F)cc2I)cc1Br
InChIInChI=1S/C14H10BrFINO2/c1-20-13-5-2-8(6-10(13)15)14(19)18-12-4-3-9(16)7-11(12)17/h2-7H,1H3,(H,18,19)
InChIKeyLNSISFQKTPUSKP-UHFFFAOYSA-N
XLogP4.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.05
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-(4-bromo-2-iodophenyl)-4-methoxybenzamide
CID 3325521
3-amino-4-bromo-N-(4-fluoro-2-iodophenyl)benzamide
CID 79768442
4-fluoro-N-(4-fluoro-2-iodophenyl)benzamide
CID 79768923
4-bromo-N-(4-fluoro-2-methoxyphenyl)-3-methylbenzamide
CID 115769609
3-bromo-N-(2-bromo-4-chlorophenyl)-4-methoxybenzamide
CID 81027184
N-(5-amino-2,4-difluorophenyl)-3-bromo-4-methoxybenzamide
CID 61033191
N-(2,4-difluorophenyl)-3,4-dimethoxybenzamide
CID 966752
3-bromo-4-methoxy-N-(2-methylphenyl)benzamide
CID 798203
3-bromo-4-methoxy-N-(3,4,5-trifluorophenyl)benzamide
CID 62814066
3-bromo-N-(3-bromo-4-fluorophenyl)-4-methoxybenzamide
CID 115661540
2-fluoro-N-(4-fluoro-2-iodophenyl)-6-methoxybenzamide
CID 79766807
N-(4-fluoro-2-iodophenyl)-4-iodobenzamide
CID 79767050

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-fluoro-2-iodophenyl)-4-methoxybenzamide?
The IUPAC name of 3-bromo-N-(4-fluoro-2-iodophenyl)-4-methoxybenzamide (CID 79765984) is 3-bromo-N-(4-fluoro-2-iodophenyl)-4-methoxybenzamide.
What is the SMILES notation for 3-bromo-N-(4-fluoro-2-iodophenyl)-4-methoxybenzamide?
The canonical SMILES for 3-bromo-N-(4-fluoro-2-iodophenyl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(F)cc2I)cc1Br.
What is the InChIKey of 3-bromo-N-(4-fluoro-2-iodophenyl)-4-methoxybenzamide?
The InChIKey is LNSISFQKTPUSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFINO2/c1-20-13-5-2-8(6-10(13)15)14(19)18-12-4-3-9(16)7-11(12)17/h2-7H,1H3,(H,18,19).
What are the key properties of 3-bromo-N-(4-fluoro-2-iodophenyl)-4-methoxybenzamide?
3-bromo-N-(4-fluoro-2-iodophenyl)-4-methoxybenzamide has a molecular weight of 450.05 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4-fluoro-2-iodophenyl)-4-methoxybenzamide is sourced from PubChem (CID 79765984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).