2,6-dibromo-4-chloro-N-[(5-iodofuran-2-yl)methyl]aniline

C11H7Br2ClINO — CID 114208979

IUPAC2,6-dibromo-4-chloro-N-[(5-iodofuran-2-yl)methyl]aniline
SMILESClc1cc(Br)c(NCc2ccc(I)o2)c(Br)c1
InChIInChI=1S/C11H7Br2ClINO/c12-8-3-6(14)4-9(13)11(8)16-5-7-1-2-10(15)17-7/h1-4,16H,5H2
InChIKeyLFGQUBIRNCAPIN-UHFFFAOYSA-N
MW491.35 g/mol
LogP5.67
Rot. Bonds3

About 2,6-dibromo-4-chloro-N-[(5-iodofuran-2-yl)methyl]aniline

2,6-dibromo-4-chloro-N-[(5-iodofuran-2-yl)methyl]aniline (PubChem CID 114208979) has the molecular formula C11H7Br2ClINO and a molecular weight of 491.35 g/mol. Its IUPAC name is 2,6-dibromo-4-chloro-N-[(5-iodofuran-2-yl)methyl]aniline.

Molecular Properties

Compound Name2,6-dibromo-4-chloro-N-[(5-iodofuran-2-yl)methyl]aniline
PubChem CID114208979
Molecular FormulaC11H7Br2ClINO
Molecular Weight491.35 g/mol
Exact Mass488.76
IUPAC Name2,6-dibromo-4-chloro-N-[(5-iodofuran-2-yl)methyl]aniline
SMILESClc1cc(Br)c(NCc2ccc(I)o2)c(Br)c1
InChIInChI=1S/C11H7Br2ClINO/c12-8-3-6(14)4-9(13)11(8)16-5-7-1-2-10(15)17-7/h1-4,16H,5H2
InChIKeyLFGQUBIRNCAPIN-UHFFFAOYSA-N
XLogP5.67
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.35
LogP ≤ 55.67
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-5-chloro-N-[(5-iodofuran-2-yl)methyl]-2-methoxyaniline
CID 43782315
4-bromo-2,6-difluoro-N-[(5-iodofuran-2-yl)methyl]aniline
CID 65469111
2,3,4,5,6-pentafluoro-N-[(5-iodofuran-2-yl)methyl]aniline
CID 115564209
2,4,6-trichloro-N-[(4,5-dibromofuran-2-yl)methyl]aniline
CID 63425788
2-chloro-N-[(5-iodofuran-2-yl)methyl]-4-methylaniline
CID 43772647
3,4-difluoro-N-[(5-iodofuran-2-yl)methyl]aniline
CID 43761592
2,3-dichloro-N-[(5-iodofuran-2-yl)methyl]aniline
CID 43772168
2,6-dibromo-4-chloro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 114209069
[5-[(2-bromo-4-chloroanilino)methyl]furan-2-yl]methanol
CID 81263655
methyl 4-chloro-2-[(5-iodofuran-2-yl)methylamino]benzoate
CID 43780351
5-chloro-N-[(5-iodofuran-2-yl)methyl]-2-propoxyaniline
CID 63453193
2-ethyl-N-[(5-iodofuran-2-yl)methyl]-6-methylaniline
CID 54862209

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-chloro-N-[(5-iodofuran-2-yl)methyl]aniline?
The IUPAC name of 2,6-dibromo-4-chloro-N-[(5-iodofuran-2-yl)methyl]aniline (CID 114208979) is 2,6-dibromo-4-chloro-N-[(5-iodofuran-2-yl)methyl]aniline.
What is the SMILES notation for 2,6-dibromo-4-chloro-N-[(5-iodofuran-2-yl)methyl]aniline?
The canonical SMILES for 2,6-dibromo-4-chloro-N-[(5-iodofuran-2-yl)methyl]aniline is Clc1cc(Br)c(NCc2ccc(I)o2)c(Br)c1.
What is the InChIKey of 2,6-dibromo-4-chloro-N-[(5-iodofuran-2-yl)methyl]aniline?
The InChIKey is LFGQUBIRNCAPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Br2ClINO/c12-8-3-6(14)4-9(13)11(8)16-5-7-1-2-10(15)17-7/h1-4,16H,5H2.
What are the key properties of 2,6-dibromo-4-chloro-N-[(5-iodofuran-2-yl)methyl]aniline?
2,6-dibromo-4-chloro-N-[(5-iodofuran-2-yl)methyl]aniline has a molecular weight of 491.35 g/mol, XLogP of 5.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-chloro-N-[(5-iodofuran-2-yl)methyl]aniline is sourced from PubChem (CID 114208979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).