2-[[4-cyano-2-(2-fluoro-4-iodoanilino)benzoyl]amino]oxyethyl N-methylcarbamate

C18H16FIN4O4 — CID 175167666

IUPAC2-[[4-cyano-2-(2-fluoro-4-iodoanilino)benzoyl]amino]oxyethyl N-methylcarbamate
SMILESCNC(=O)OCCONC(=O)c1ccc(C#N)cc1Nc1ccc(I)cc1F
InChIInChI=1S/C18H16FIN4O4/c1-22-18(26)27-6-7-28-24-17(25)13-4-2-11(10-21)8-16(13)23-15-5-3-12(20)9-14(15)19/h2-5,8-9,23H,6-7H2,1H3,(H,22,26)(H,24,25)
InChIKeyZVVULAUAILUDFG-UHFFFAOYSA-N
MW498.25 g/mol
LogP3.06
Rot. Bonds7

About 2-[[4-cyano-2-(2-fluoro-4-iodoanilino)benzoyl]amino]oxyethyl N-methylcarbamate

2-[[4-cyano-2-(2-fluoro-4-iodoanilino)benzoyl]amino]oxyethyl N-methylcarbamate (PubChem CID 175167666) has the molecular formula C18H16FIN4O4 and a molecular weight of 498.25 g/mol. Its IUPAC name is 2-[[4-cyano-2-(2-fluoro-4-iodoanilino)benzoyl]amino]oxyethyl N-methylcarbamate.

Molecular Properties

Compound Name2-[[4-cyano-2-(2-fluoro-4-iodoanilino)benzoyl]amino]oxyethyl N-methylcarbamate
PubChem CID175167666
Molecular FormulaC18H16FIN4O4
Molecular Weight498.25 g/mol
Exact Mass498.02
IUPAC Name2-[[4-cyano-2-(2-fluoro-4-iodoanilino)benzoyl]amino]oxyethyl N-methylcarbamate
SMILESCNC(=O)OCCONC(=O)c1ccc(C#N)cc1Nc1ccc(I)cc1F
InChIInChI=1S/C18H16FIN4O4/c1-22-18(26)27-6-7-28-24-17(25)13-4-2-11(10-21)8-16(13)23-15-5-3-12(20)9-14(15)19/h2-5,8-9,23H,6-7H2,1H3,(H,22,26)(H,24,25)
InChIKeyZVVULAUAILUDFG-UHFFFAOYSA-N
XLogP3.06
TPSA112.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.25
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-[[4-cyano-2-(2-fluoro-4-iodoanilino)benzoyl]amino]oxyethyl N-methylcarbamate 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

4-fluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)benzamide
CID 10224849
4,5-difluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)benzamide
CID 10114957
5-chloro-N-(2-ethoxyethoxy)-4-fluoro-2-(2-fluoro-4-iodoanilino)benzamide
CID 22286574
4-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1-methyl-6-oxopyridine-3-carboxamide
CID 11213014
3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-(3-hydroxypentoxy)benzamide
CID 22286512
6-cyano-2-(2-fluoro-4-iodoanilino)-N-[3-(hydroxyamino)-3-oxopropoxy]pyridine-3-carboxamide
CID 163497589
5-chloro-4-fluoro-2-(2-fluoro-4-iodoanilino)-N-(3-hydroxy-3-methylbutoxy)benzamide
CID 22286180
6-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1-oxo-2,3-dihydroisoindole-5-carboxamide
CID 44545707
3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-methylbenzamide
CID 122438576
4-fluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-5-[(E)-[2-(methylamino)-2-oxoethoxy]iminomethyl]benzamide
CID 11444193
2-(2-chloro-4-iodoanilino)-4-fluoro-N-[2-(2-methoxyethoxy)ethoxy]benzamide
CID 22286598
4-fluoro-2-(2-fluoro-4-iodoanilino)-N-[1-(hydroxymethyl)cyclopropyl]oxybenzamide
CID 22285950

Frequently Asked Questions

What is the IUPAC name of 2-[[4-cyano-2-(2-fluoro-4-iodoanilino)benzoyl]amino]oxyethyl N-methylcarbamate?
The IUPAC name of 2-[[4-cyano-2-(2-fluoro-4-iodoanilino)benzoyl]amino]oxyethyl N-methylcarbamate (CID 175167666) is 2-[[4-cyano-2-(2-fluoro-4-iodoanilino)benzoyl]amino]oxyethyl N-methylcarbamate.
What is the SMILES notation for 2-[[4-cyano-2-(2-fluoro-4-iodoanilino)benzoyl]amino]oxyethyl N-methylcarbamate?
The canonical SMILES for 2-[[4-cyano-2-(2-fluoro-4-iodoanilino)benzoyl]amino]oxyethyl N-methylcarbamate is CNC(=O)OCCONC(=O)c1ccc(C#N)cc1Nc1ccc(I)cc1F.
What is the InChIKey of 2-[[4-cyano-2-(2-fluoro-4-iodoanilino)benzoyl]amino]oxyethyl N-methylcarbamate?
The InChIKey is ZVVULAUAILUDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FIN4O4/c1-22-18(26)27-6-7-28-24-17(25)13-4-2-11(10-21)8-16(13)23-15-5-3-12(20)9-14(15)19/h2-5,8-9,23H,6-7H2,1H3,(H,22,26)(H,24,25).
What are the key properties of 2-[[4-cyano-2-(2-fluoro-4-iodoanilino)benzoyl]amino]oxyethyl N-methylcarbamate?
2-[[4-cyano-2-(2-fluoro-4-iodoanilino)benzoyl]amino]oxyethyl N-methylcarbamate has a molecular weight of 498.25 g/mol, XLogP of 3.06, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-cyano-2-(2-fluoro-4-iodoanilino)benzoyl]amino]oxyethyl N-methylcarbamate is sourced from PubChem (CID 175167666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).