5-chloro-2-(2-chloro-4-iodoanilino)-N-(2-ethoxyethoxy)-4-fluorobenzamide

C17H16Cl2FIN2O3 — CID 22286580

IUPAC5-chloro-2-(2-chloro-4-iodoanilino)-N-(2-ethoxyethoxy)-4-fluorobenzamide
SMILESCCOCCONC(=O)c1cc(Cl)c(F)cc1Nc1ccc(I)cc1Cl
InChIInChI=1S/C17H16Cl2FIN2O3/c1-2-25-5-6-26-23-17(24)11-8-12(18)14(20)9-16(11)22-15-4-3-10(21)7-13(15)19/h3-4,7-9,22H,2,5-6H2,1H3,(H,23,24)
InChIKeyWGLRHGOCGPMHON-UHFFFAOYSA-N
MW513.13 g/mol
LogP5.18
Rot. Bonds8

About 5-chloro-2-(2-chloro-4-iodoanilino)-N-(2-ethoxyethoxy)-4-fluorobenzamide

5-chloro-2-(2-chloro-4-iodoanilino)-N-(2-ethoxyethoxy)-4-fluorobenzamide (PubChem CID 22286580) has the molecular formula C17H16Cl2FIN2O3 and a molecular weight of 513.13 g/mol. Its IUPAC name is 5-chloro-2-(2-chloro-4-iodoanilino)-N-(2-ethoxyethoxy)-4-fluorobenzamide.

Molecular Properties

Compound Name5-chloro-2-(2-chloro-4-iodoanilino)-N-(2-ethoxyethoxy)-4-fluorobenzamide
PubChem CID22286580
Molecular FormulaC17H16Cl2FIN2O3
Molecular Weight513.13 g/mol
Exact Mass511.96
IUPAC Name5-chloro-2-(2-chloro-4-iodoanilino)-N-(2-ethoxyethoxy)-4-fluorobenzamide
SMILESCCOCCONC(=O)c1cc(Cl)c(F)cc1Nc1ccc(I)cc1Cl
InChIInChI=1S/C17H16Cl2FIN2O3/c1-2-25-5-6-26-23-17(24)11-8-12(18)14(20)9-16(11)22-15-4-3-10(21)7-13(15)19/h3-4,7-9,22H,2,5-6H2,1H3,(H,23,24)
InChIKeyWGLRHGOCGPMHON-UHFFFAOYSA-N
XLogP5.18
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.13
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

5-chloro-N-(2-ethoxyethoxy)-4-fluoro-2-(2-fluoro-4-iodoanilino)benzamide
CID 22286574
5-chloro-2-(2-chloro-4-iodoanilino)-4-fluoro-N-(2-hydroxy-3-methylbutoxy)benzamide
CID 22286231
2-(2-chloro-4-iodoanilino)-4-fluoro-N-[2-(2-methoxyethoxy)ethoxy]benzamide
CID 22286598
5-chloro-4-fluoro-2-(2-fluoro-4-iodoanilino)-N-(3-hydroxy-3-methylbutoxy)benzamide
CID 22286180
5-chloro-4-fluoro-N-(3-hydroxy-3-methylbutoxy)-2-(4-iodo-2-methylanilino)benzamide
CID 22286040
2-(2-chloro-4-iodoanilino)-4,5-difluoro-N-[(1-hydroxycyclobutyl)methoxy]benzamide
CID 87738909
2-(2-chloro-4-iodoanilino)-4-fluoro-N-(3-hydroxypropoxy)benzamide
CID 10205117
4,5-difluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)benzamide
CID 10114957
2-(2-chloro-4-iodoanilino)-3,4-difluoro-N-(3-hydroxy-3-methylbutoxy)benzamide
CID 22286519
2-(2-chloro-4-iodoanilino)-4,5-difluoro-N-(2-hydroxy-3-phenoxypropoxy)benzamide
CID 22285949
5-bromo-2-(2-chloro-4-iodoanilino)-4-fluoro-N-[[1-(hydroxymethyl)cyclopropyl]methoxy]benzamide
CID 87737799
2-(2-chloro-4-iodoanilino)-3,4-difluoro-N-(2-hydroxy-2-methylpropoxy)benzamide
CID 10228574

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-chloro-4-iodoanilino)-N-(2-ethoxyethoxy)-4-fluorobenzamide?
The IUPAC name of 5-chloro-2-(2-chloro-4-iodoanilino)-N-(2-ethoxyethoxy)-4-fluorobenzamide (CID 22286580) is 5-chloro-2-(2-chloro-4-iodoanilino)-N-(2-ethoxyethoxy)-4-fluorobenzamide.
What is the SMILES notation for 5-chloro-2-(2-chloro-4-iodoanilino)-N-(2-ethoxyethoxy)-4-fluorobenzamide?
The canonical SMILES for 5-chloro-2-(2-chloro-4-iodoanilino)-N-(2-ethoxyethoxy)-4-fluorobenzamide is CCOCCONC(=O)c1cc(Cl)c(F)cc1Nc1ccc(I)cc1Cl.
What is the InChIKey of 5-chloro-2-(2-chloro-4-iodoanilino)-N-(2-ethoxyethoxy)-4-fluorobenzamide?
The InChIKey is WGLRHGOCGPMHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2FIN2O3/c1-2-25-5-6-26-23-17(24)11-8-12(18)14(20)9-16(11)22-15-4-3-10(21)7-13(15)19/h3-4,7-9,22H,2,5-6H2,1H3,(H,23,24).
What are the key properties of 5-chloro-2-(2-chloro-4-iodoanilino)-N-(2-ethoxyethoxy)-4-fluorobenzamide?
5-chloro-2-(2-chloro-4-iodoanilino)-N-(2-ethoxyethoxy)-4-fluorobenzamide has a molecular weight of 513.13 g/mol, XLogP of 5.18, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-chloro-4-iodoanilino)-N-(2-ethoxyethoxy)-4-fluorobenzamide is sourced from PubChem (CID 22286580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).