2-(2-chloro-4-iodoanilino)-4-fluoro-N-[2-(2-methoxyethoxy)ethoxy]benzamide

C18H19ClFIN2O4 — CID 22286598

IUPAC2-(2-chloro-4-iodoanilino)-4-fluoro-N-[2-(2-methoxyethoxy)ethoxy]benzamide
SMILESCOCCOCCONC(=O)c1ccc(F)cc1Nc1ccc(I)cc1Cl
InChIInChI=1S/C18H19ClFIN2O4/c1-25-6-7-26-8-9-27-23-18(24)14-4-2-12(20)10-17(14)22-16-5-3-13(21)11-15(16)19/h2-5,10-11,22H,6-9H2,1H3,(H,23,24)
InChIKeyZJSNESBYZRZOJB-UHFFFAOYSA-N
MW508.72 g/mol
LogP4.15
Rot. Bonds10

About 2-(2-chloro-4-iodoanilino)-4-fluoro-N-[2-(2-methoxyethoxy)ethoxy]benzamide

2-(2-chloro-4-iodoanilino)-4-fluoro-N-[2-(2-methoxyethoxy)ethoxy]benzamide (PubChem CID 22286598) has the molecular formula C18H19ClFIN2O4 and a molecular weight of 508.72 g/mol. Its IUPAC name is 2-(2-chloro-4-iodoanilino)-4-fluoro-N-[2-(2-methoxyethoxy)ethoxy]benzamide.

Molecular Properties

Compound Name2-(2-chloro-4-iodoanilino)-4-fluoro-N-[2-(2-methoxyethoxy)ethoxy]benzamide
PubChem CID22286598
Molecular FormulaC18H19ClFIN2O4
Molecular Weight508.72 g/mol
Exact Mass508.01
IUPAC Name2-(2-chloro-4-iodoanilino)-4-fluoro-N-[2-(2-methoxyethoxy)ethoxy]benzamide
SMILESCOCCOCCONC(=O)c1ccc(F)cc1Nc1ccc(I)cc1Cl
InChIInChI=1S/C18H19ClFIN2O4/c1-25-6-7-26-8-9-27-23-18(24)14-4-2-12(20)10-17(14)22-16-5-3-13(21)11-15(16)19/h2-5,10-11,22H,6-9H2,1H3,(H,23,24)
InChIKeyZJSNESBYZRZOJB-UHFFFAOYSA-N
XLogP4.15
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.72
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(2-chloro-4-iodoanilino)-4-fluoro-N-[2-(2-methoxyethoxy)ethoxy]benzamide 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-(2-chloro-4-iodoanilino)-4-fluoro-N-(3-hydroxypropoxy)benzamide
CID 10205117
5-chloro-2-(2-chloro-4-iodoanilino)-N-(2-ethoxyethoxy)-4-fluorobenzamide
CID 22286580
2-(2-chloro-4-iodoanilino)-4-fluoro-N-(2-hydroxy-4-methylpentoxy)benzamide
CID 22286222
4-fluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)benzamide
CID 10224849
2-(2-chloro-4-iodoanilino)-4-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)oxybenzamide
CID 22286560
5-chloro-N-(2-ethoxyethoxy)-4-fluoro-2-(2-fluoro-4-iodoanilino)benzamide
CID 22286574
2-(2-chloro-4-iodoanilino)-4-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropoxy)benzamide
CID 22286043
2-(2-chloro-4-iodoanilino)-3,4-difluoro-N-(3-hydroxy-3-methylbutoxy)benzamide
CID 22286519
4-fluoro-N-(2-hydroxybutoxy)-2-(4-iodo-2-methylanilino)benzamide
CID 22286611
2-(2-bromo-4-iodoanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;2-(2-bromo-4-iodoanilino)-N-(cyclopropylmethoxy)-4-fluorobenzamide;2-(2-chloro-4-iodoanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;2-(2-chloro-4-iodoanilino)-N-(cyclopropylmethoxy)-4-fluorobenzamide;N-(cyclopropylmethoxy)-3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzamide
CID 173277062
2-(2-chloro-4-iodoanilino)-3,4-difluoro-N-(2-hydroxy-2-methylpropoxy)benzamide
CID 10228574
5-chloro-2-(2-chloro-4-iodoanilino)-4-fluoro-N-(2-hydroxy-3-methylbutoxy)benzamide
CID 22286231

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-iodoanilino)-4-fluoro-N-[2-(2-methoxyethoxy)ethoxy]benzamide?
The IUPAC name of 2-(2-chloro-4-iodoanilino)-4-fluoro-N-[2-(2-methoxyethoxy)ethoxy]benzamide (CID 22286598) is 2-(2-chloro-4-iodoanilino)-4-fluoro-N-[2-(2-methoxyethoxy)ethoxy]benzamide.
What is the SMILES notation for 2-(2-chloro-4-iodoanilino)-4-fluoro-N-[2-(2-methoxyethoxy)ethoxy]benzamide?
The canonical SMILES for 2-(2-chloro-4-iodoanilino)-4-fluoro-N-[2-(2-methoxyethoxy)ethoxy]benzamide is COCCOCCONC(=O)c1ccc(F)cc1Nc1ccc(I)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-iodoanilino)-4-fluoro-N-[2-(2-methoxyethoxy)ethoxy]benzamide?
The InChIKey is ZJSNESBYZRZOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFIN2O4/c1-25-6-7-26-8-9-27-23-18(24)14-4-2-12(20)10-17(14)22-16-5-3-13(21)11-15(16)19/h2-5,10-11,22H,6-9H2,1H3,(H,23,24).
What are the key properties of 2-(2-chloro-4-iodoanilino)-4-fluoro-N-[2-(2-methoxyethoxy)ethoxy]benzamide?
2-(2-chloro-4-iodoanilino)-4-fluoro-N-[2-(2-methoxyethoxy)ethoxy]benzamide has a molecular weight of 508.72 g/mol, XLogP of 4.15, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-iodoanilino)-4-fluoro-N-[2-(2-methoxyethoxy)ethoxy]benzamide is sourced from PubChem (CID 22286598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).