2,3-dichloro-N-[(5-iodofuran-2-yl)methyl]aniline

C11H8Cl2INO — CID 43772168

IUPAC2,3-dichloro-N-[(5-iodofuran-2-yl)methyl]aniline
SMILESClc1cccc(NCc2ccc(I)o2)c1Cl
InChIInChI=1S/C11H8Cl2INO/c12-8-2-1-3-9(11(8)13)15-6-7-4-5-10(14)16-7/h1-5,15H,6H2
InChIKeyUYPYVTSSMZOAGR-UHFFFAOYSA-N
MW368.00 g/mol
LogP4.80
Rot. Bonds3

About 2,3-dichloro-N-[(5-iodofuran-2-yl)methyl]aniline

2,3-dichloro-N-[(5-iodofuran-2-yl)methyl]aniline (PubChem CID 43772168) has the molecular formula C11H8Cl2INO and a molecular weight of 368.00 g/mol. Its IUPAC name is 2,3-dichloro-N-[(5-iodofuran-2-yl)methyl]aniline.

Molecular Properties

Compound Name2,3-dichloro-N-[(5-iodofuran-2-yl)methyl]aniline
PubChem CID43772168
Molecular FormulaC11H8Cl2INO
Molecular Weight368.00 g/mol
Exact Mass366.90
IUPAC Name2,3-dichloro-N-[(5-iodofuran-2-yl)methyl]aniline
SMILESClc1cccc(NCc2ccc(I)o2)c1Cl
InChIInChI=1S/C11H8Cl2INO/c12-8-2-1-3-9(11(8)13)15-6-7-4-5-10(14)16-7/h1-5,15H,6H2
InChIKeyUYPYVTSSMZOAGR-UHFFFAOYSA-N
XLogP4.80
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.00
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,3-dichloro-N-[(5-iodofuran-2-yl)methyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-difluoro-N-[(5-iodofuran-2-yl)methyl]aniline
CID 61076991
2-chloro-N-[(5-iodofuran-2-yl)methyl]-4-methylaniline
CID 43772647
8-chloro-N-[(5-iodofuran-2-yl)methyl]quinolin-5-amine
CID 43788302
2-fluoro-6-[(5-iodofuran-2-yl)methylamino]benzonitrile
CID 43778297
3-chloro-N-[(5-ethylfuran-2-yl)methyl]-2-methylaniline
CID 55062751
2,6-dibromo-4-chloro-N-[(5-iodofuran-2-yl)methyl]aniline
CID 114208979
2,3,4,5,6-pentafluoro-N-[(5-iodofuran-2-yl)methyl]aniline
CID 115564209
N-[(5-iodofuran-2-yl)methyl]-4-phenylaniline
CID 43785167
3-bromo-5-chloro-N-[(5-iodofuran-2-yl)methyl]-2-methoxyaniline
CID 43782315
5-[(2-bromo-3-chloroanilino)methyl]furan-2-carbonitrile
CID 103478709
5-[(2-chloro-3-methylanilino)methyl]furan-2-carboxylic acid
CID 114250964
5-chloro-N-[(5-iodofuran-2-yl)methyl]-2-propoxyaniline
CID 63453193

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[(5-iodofuran-2-yl)methyl]aniline?
The IUPAC name of 2,3-dichloro-N-[(5-iodofuran-2-yl)methyl]aniline (CID 43772168) is 2,3-dichloro-N-[(5-iodofuran-2-yl)methyl]aniline.
What is the SMILES notation for 2,3-dichloro-N-[(5-iodofuran-2-yl)methyl]aniline?
The canonical SMILES for 2,3-dichloro-N-[(5-iodofuran-2-yl)methyl]aniline is Clc1cccc(NCc2ccc(I)o2)c1Cl.
What is the InChIKey of 2,3-dichloro-N-[(5-iodofuran-2-yl)methyl]aniline?
The InChIKey is UYPYVTSSMZOAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2INO/c12-8-2-1-3-9(11(8)13)15-6-7-4-5-10(14)16-7/h1-5,15H,6H2.
What are the key properties of 2,3-dichloro-N-[(5-iodofuran-2-yl)methyl]aniline?
2,3-dichloro-N-[(5-iodofuran-2-yl)methyl]aniline has a molecular weight of 368.00 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[(5-iodofuran-2-yl)methyl]aniline is sourced from PubChem (CID 43772168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).