3-bromo-5-chloro-N-[(5-iodofuran-2-yl)methyl]-2-methoxyaniline

C12H10BrClINO2 — CID 43782315

IUPAC3-bromo-5-chloro-N-[(5-iodofuran-2-yl)methyl]-2-methoxyaniline
SMILESCOc1c(Br)cc(Cl)cc1NCc1ccc(I)o1
InChIInChI=1S/C12H10BrClINO2/c1-17-12-9(13)4-7(14)5-10(12)16-6-8-2-3-11(15)18-8/h2-5,16H,6H2,1H3
InChIKeyGLLKUPJUGWPTQC-UHFFFAOYSA-N
MW442.48 g/mol
LogP4.92
Rot. Bonds4

About 3-bromo-5-chloro-N-[(5-iodofuran-2-yl)methyl]-2-methoxyaniline

3-bromo-5-chloro-N-[(5-iodofuran-2-yl)methyl]-2-methoxyaniline (PubChem CID 43782315) has the molecular formula C12H10BrClINO2 and a molecular weight of 442.48 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-[(5-iodofuran-2-yl)methyl]-2-methoxyaniline.

Molecular Properties

Compound Name3-bromo-5-chloro-N-[(5-iodofuran-2-yl)methyl]-2-methoxyaniline
PubChem CID43782315
Molecular FormulaC12H10BrClINO2
Molecular Weight442.48 g/mol
Exact Mass440.86
IUPAC Name3-bromo-5-chloro-N-[(5-iodofuran-2-yl)methyl]-2-methoxyaniline
SMILESCOc1c(Br)cc(Cl)cc1NCc1ccc(I)o1
InChIInChI=1S/C12H10BrClINO2/c1-17-12-9(13)4-7(14)5-10(12)16-6-8-2-3-11(15)18-8/h2-5,16H,6H2,1H3
InChIKeyGLLKUPJUGWPTQC-UHFFFAOYSA-N
XLogP4.92
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-5-chloro-N-[(5-ethylfuran-2-yl)methyl]-2-methoxyaniline
CID 63431488
3-bromo-5-chloro-N-(furan-2-ylmethyl)-2-methoxyaniline
CID 43689281
2,6-dibromo-4-chloro-N-[(5-iodofuran-2-yl)methyl]aniline
CID 114208979
5-chloro-N-[(5-iodofuran-2-yl)methyl]-2-propoxyaniline
CID 63453193
methyl 4-chloro-2-[(5-iodofuran-2-yl)methylamino]benzoate
CID 43780351
methyl 5-[(3-bromo-5-chloro-2-methoxyanilino)methyl]furan-3-carboxylate
CID 104585695
3-bromo-5-chloro-2-methoxy-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 43782325
3-bromo-5-chloro-N-[(4-cyclopropylphenyl)methyl]-2-methoxyaniline
CID 79968459
3-bromo-5-chloro-2-methoxy-N-[(4-methoxy-3-methylphenyl)methyl]aniline
CID 43782333
3-bromo-5-chloro-N-[(2,4-difluorophenyl)methyl]-2-methoxyaniline
CID 43689253
3-bromo-5-chloro-2-methoxy-N-(oxan-4-ylmethyl)aniline
CID 62385204
3-bromo-5-chloro-2-methoxy-N-[(5-methyl-2-pyridinyl)methyl]aniline
CID 81311545

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-[(5-iodofuran-2-yl)methyl]-2-methoxyaniline?
The IUPAC name of 3-bromo-5-chloro-N-[(5-iodofuran-2-yl)methyl]-2-methoxyaniline (CID 43782315) is 3-bromo-5-chloro-N-[(5-iodofuran-2-yl)methyl]-2-methoxyaniline.
What is the SMILES notation for 3-bromo-5-chloro-N-[(5-iodofuran-2-yl)methyl]-2-methoxyaniline?
The canonical SMILES for 3-bromo-5-chloro-N-[(5-iodofuran-2-yl)methyl]-2-methoxyaniline is COc1c(Br)cc(Cl)cc1NCc1ccc(I)o1.
What is the InChIKey of 3-bromo-5-chloro-N-[(5-iodofuran-2-yl)methyl]-2-methoxyaniline?
The InChIKey is GLLKUPJUGWPTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClINO2/c1-17-12-9(13)4-7(14)5-10(12)16-6-8-2-3-11(15)18-8/h2-5,16H,6H2,1H3.
What are the key properties of 3-bromo-5-chloro-N-[(5-iodofuran-2-yl)methyl]-2-methoxyaniline?
3-bromo-5-chloro-N-[(5-iodofuran-2-yl)methyl]-2-methoxyaniline has a molecular weight of 442.48 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-[(5-iodofuran-2-yl)methyl]-2-methoxyaniline is sourced from PubChem (CID 43782315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).