5-chloro-N-(2-ethoxyethoxy)-4-fluoro-2-(2-fluoro-4-iodoanilino)benzamide

C17H16ClF2IN2O3 — CID 22286574

IUPAC5-chloro-N-(2-ethoxyethoxy)-4-fluoro-2-(2-fluoro-4-iodoanilino)benzamide
SMILESCCOCCONC(=O)c1cc(Cl)c(F)cc1Nc1ccc(I)cc1F
InChIInChI=1S/C17H16ClF2IN2O3/c1-2-25-5-6-26-23-17(24)11-8-12(18)13(19)9-16(11)22-15-4-3-10(21)7-14(15)20/h3-4,7-9,22H,2,5-6H2,1H3,(H,23,24)
InChIKeyODELTHMDYHARRR-UHFFFAOYSA-N
MW496.68 g/mol
LogP4.66
Rot. Bonds8

About 5-chloro-N-(2-ethoxyethoxy)-4-fluoro-2-(2-fluoro-4-iodoanilino)benzamide

5-chloro-N-(2-ethoxyethoxy)-4-fluoro-2-(2-fluoro-4-iodoanilino)benzamide (PubChem CID 22286574) has the molecular formula C17H16ClF2IN2O3 and a molecular weight of 496.68 g/mol. Its IUPAC name is 5-chloro-N-(2-ethoxyethoxy)-4-fluoro-2-(2-fluoro-4-iodoanilino)benzamide.

Molecular Properties

Compound Name5-chloro-N-(2-ethoxyethoxy)-4-fluoro-2-(2-fluoro-4-iodoanilino)benzamide
PubChem CID22286574
Molecular FormulaC17H16ClF2IN2O3
Molecular Weight496.68 g/mol
Exact Mass495.99
IUPAC Name5-chloro-N-(2-ethoxyethoxy)-4-fluoro-2-(2-fluoro-4-iodoanilino)benzamide
SMILESCCOCCONC(=O)c1cc(Cl)c(F)cc1Nc1ccc(I)cc1F
InChIInChI=1S/C17H16ClF2IN2O3/c1-2-25-5-6-26-23-17(24)11-8-12(18)13(19)9-16(11)22-15-4-3-10(21)7-14(15)20/h3-4,7-9,22H,2,5-6H2,1H3,(H,23,24)
InChIKeyODELTHMDYHARRR-UHFFFAOYSA-N
XLogP4.66
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.68
LogP ≤ 54.66
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-2-(2-chloro-4-iodoanilino)-N-(2-ethoxyethoxy)-4-fluorobenzamide
CID 22286580
5-chloro-4-fluoro-2-(2-fluoro-4-iodoanilino)-N-(3-hydroxy-3-methylbutoxy)benzamide
CID 22286180
4,5-difluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)benzamide
CID 10114957
5-chloro-4-fluoro-N-(3-hydroxy-3-methylbutoxy)-2-(4-iodo-2-methylanilino)benzamide
CID 22286040
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
4-fluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)benzamide
CID 10224849
4-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1-methyl-6-oxopyridine-3-carboxamide
CID 11213014
5-chloro-3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxybutoxy)benzamide
CID 22271671
4-fluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-5-[(E)-[2-(methylamino)-2-oxoethoxy]iminomethyl]benzamide
CID 11444193
3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-(3-hydroxypentoxy)benzamide
CID 22286512
2-[[4-cyano-2-(2-fluoro-4-iodoanilino)benzoyl]amino]oxyethyl N-methylcarbamate
CID 175167666

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-ethoxyethoxy)-4-fluoro-2-(2-fluoro-4-iodoanilino)benzamide?
The IUPAC name of 5-chloro-N-(2-ethoxyethoxy)-4-fluoro-2-(2-fluoro-4-iodoanilino)benzamide (CID 22286574) is 5-chloro-N-(2-ethoxyethoxy)-4-fluoro-2-(2-fluoro-4-iodoanilino)benzamide.
What is the SMILES notation for 5-chloro-N-(2-ethoxyethoxy)-4-fluoro-2-(2-fluoro-4-iodoanilino)benzamide?
The canonical SMILES for 5-chloro-N-(2-ethoxyethoxy)-4-fluoro-2-(2-fluoro-4-iodoanilino)benzamide is CCOCCONC(=O)c1cc(Cl)c(F)cc1Nc1ccc(I)cc1F.
What is the InChIKey of 5-chloro-N-(2-ethoxyethoxy)-4-fluoro-2-(2-fluoro-4-iodoanilino)benzamide?
The InChIKey is ODELTHMDYHARRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF2IN2O3/c1-2-25-5-6-26-23-17(24)11-8-12(18)13(19)9-16(11)22-15-4-3-10(21)7-14(15)20/h3-4,7-9,22H,2,5-6H2,1H3,(H,23,24).
What are the key properties of 5-chloro-N-(2-ethoxyethoxy)-4-fluoro-2-(2-fluoro-4-iodoanilino)benzamide?
5-chloro-N-(2-ethoxyethoxy)-4-fluoro-2-(2-fluoro-4-iodoanilino)benzamide has a molecular weight of 496.68 g/mol, XLogP of 4.66, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-ethoxyethoxy)-4-fluoro-2-(2-fluoro-4-iodoanilino)benzamide is sourced from PubChem (CID 22286574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).