3-amino-4-bromo-N-(4-fluoro-2-iodophenyl)benzamide

C13H9BrFIN2O — CID 79768442

IUPAC3-amino-4-bromo-N-(4-fluoro-2-iodophenyl)benzamide
SMILESNc1cc(C(=O)Nc2ccc(F)cc2I)ccc1Br
InChIInChI=1S/C13H9BrFIN2O/c14-9-3-1-7(5-11(9)17)13(19)18-12-4-2-8(15)6-10(12)16/h1-6H,17H2,(H,18,19)
InChIKeyWQDAZGKTRQWYDF-UHFFFAOYSA-N
MW435.03 g/mol
LogP4.03
Rot. Bonds2

About 3-amino-4-bromo-N-(4-fluoro-2-iodophenyl)benzamide

3-amino-4-bromo-N-(4-fluoro-2-iodophenyl)benzamide (PubChem CID 79768442) has the molecular formula C13H9BrFIN2O and a molecular weight of 435.03 g/mol. Its IUPAC name is 3-amino-4-bromo-N-(4-fluoro-2-iodophenyl)benzamide.

Molecular Properties

Compound Name3-amino-4-bromo-N-(4-fluoro-2-iodophenyl)benzamide
PubChem CID79768442
Molecular FormulaC13H9BrFIN2O
Molecular Weight435.03 g/mol
Exact Mass433.89
IUPAC Name3-amino-4-bromo-N-(4-fluoro-2-iodophenyl)benzamide
SMILESNc1cc(C(=O)Nc2ccc(F)cc2I)ccc1Br
InChIInChI=1S/C13H9BrFIN2O/c14-9-3-1-7(5-11(9)17)13(19)18-12-4-2-8(15)6-10(12)16/h1-6H,17H2,(H,18,19)
InChIKeyWQDAZGKTRQWYDF-UHFFFAOYSA-N
XLogP4.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.03
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-chloro-N-(4-fluoro-2-iodophenyl)benzamide
CID 79769352
4-fluoro-N-(4-fluoro-2-iodophenyl)benzamide
CID 79768923
3-bromo-N-(4-fluoro-2-iodophenyl)-4-methoxybenzamide
CID 79765984
N-(4-fluoro-2-iodophenyl)-4-iodobenzamide
CID 79767050
3-amino-4-bromo-N-(2-fluoro-4-methylphenyl)benzamide
CID 61093746
3-amino-5-fluoro-N-(4-fluoro-2-iodophenyl)-4-methylbenzamide
CID 79769032
4-amino-N-(2-bromo-4-fluorophenyl)-3-methylbenzamide
CID 28938520
3-amino-4-bromo-N-(5-fluoro-2-pyridinyl)benzamide
CID 65481637
4-bromo-N-(2-bromo-4-fluorophenyl)-3-fluorobenzamide
CID 47421840
N-(4-fluoro-2-iodophenyl)-3-hydroxy-4-methylbenzamide
CID 79766392
4-bromo-N-(4-chloro-2-iodophenyl)-3-fluorobenzamide
CID 107626139
N-(4-fluoro-2-iodophenyl)-4-methylsulfanylbenzamide
CID 79766642

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-bromo-N-(4-fluoro-2-iodophenyl)benzamide?
The IUPAC name of 3-amino-4-bromo-N-(4-fluoro-2-iodophenyl)benzamide (CID 79768442) is 3-amino-4-bromo-N-(4-fluoro-2-iodophenyl)benzamide.
What is the SMILES notation for 3-amino-4-bromo-N-(4-fluoro-2-iodophenyl)benzamide?
The canonical SMILES for 3-amino-4-bromo-N-(4-fluoro-2-iodophenyl)benzamide is Nc1cc(C(=O)Nc2ccc(F)cc2I)ccc1Br.
What is the InChIKey of 3-amino-4-bromo-N-(4-fluoro-2-iodophenyl)benzamide?
The InChIKey is WQDAZGKTRQWYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFIN2O/c14-9-3-1-7(5-11(9)17)13(19)18-12-4-2-8(15)6-10(12)16/h1-6H,17H2,(H,18,19).
What are the key properties of 3-amino-4-bromo-N-(4-fluoro-2-iodophenyl)benzamide?
3-amino-4-bromo-N-(4-fluoro-2-iodophenyl)benzamide has a molecular weight of 435.03 g/mol, XLogP of 4.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-bromo-N-(4-fluoro-2-iodophenyl)benzamide is sourced from PubChem (CID 79768442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).