2-cyano-N-(4-fluoro-2-hydroxy-6-iodophenyl)acetamide

C9H6FIN2O2 — CID 168520911

IUPAC2-cyano-N-(4-fluoro-2-hydroxy-6-iodophenyl)acetamide
SMILESN#CCC(=O)Nc1c(O)cc(F)cc1I
InChIInChI=1S/C9H6FIN2O2/c10-5-3-6(11)9(7(14)4-5)13-8(15)1-2-12/h3-4,14H,1H2,(H,13,15)
InChIKeyKGLSUIDVXKTDTJ-UHFFFAOYSA-N
MW320.06 g/mol
LogP1.99
Rot. Bonds2

About 2-cyano-N-(4-fluoro-2-hydroxy-6-iodophenyl)acetamide

2-cyano-N-(4-fluoro-2-hydroxy-6-iodophenyl)acetamide (PubChem CID 168520911) has the molecular formula C9H6FIN2O2 and a molecular weight of 320.06 g/mol. Its IUPAC name is 2-cyano-N-(4-fluoro-2-hydroxy-6-iodophenyl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(4-fluoro-2-hydroxy-6-iodophenyl)acetamide
PubChem CID168520911
Molecular FormulaC9H6FIN2O2
Molecular Weight320.06 g/mol
Exact Mass319.95
IUPAC Name2-cyano-N-(4-fluoro-2-hydroxy-6-iodophenyl)acetamide
SMILESN#CCC(=O)Nc1c(O)cc(F)cc1I
InChIInChI=1S/C9H6FIN2O2/c10-5-3-6(11)9(7(14)4-5)13-8(15)1-2-12/h3-4,14H,1H2,(H,13,15)
InChIKeyKGLSUIDVXKTDTJ-UHFFFAOYSA-N
XLogP1.99
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.06
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-cyano-N-(4-fluoro-2-hydroxy-6-iodophenyl)acetamide 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-cyano-N-(2,6-difluoro-4-methylphenyl)acetamide
CID 168521532
(4-fluoro-2-hydroxy-6-iodophenyl)thiourea
CID 169356798
2-cyano-N-(2,6-difluorophenyl)acetamide
CID 13174846
2-cyano-N-(2,4-difluoro-6-nitrophenyl)acetamide
CID 83298314
methyl 2-[(2-cyanoacetyl)amino]-5-fluoro-3-methoxybenzoate
CID 168523640
N-(4-chloro-5-fluoro-2-hydroxyphenyl)-2-cyanoacetamide
CID 168522906
2-cyano-N-(3-hydroxyphenyl)acetamide
CID 22099165
4-[(2-cyanoacetyl)amino]-3-hydroxynaphthalene-1-sulfonic acid
CID 168524118
N-(6-bromo-3,4-dichloro-2-fluorophenyl)-2-cyanoacetamide
CID 168521570
2-cyano-N-(2,4-dibromo-6-chloro-3-fluorophenyl)acetamide
CID 168521788
2-cyano-N-[2-iodo-4-(trifluoromethyl)phenyl]acetamide
CID 168524104
N-(2-bromo-5-fluorophenyl)-2-cyanoacetamide
CID 83317310

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(4-fluoro-2-hydroxy-6-iodophenyl)acetamide?
The IUPAC name of 2-cyano-N-(4-fluoro-2-hydroxy-6-iodophenyl)acetamide (CID 168520911) is 2-cyano-N-(4-fluoro-2-hydroxy-6-iodophenyl)acetamide.
What is the SMILES notation for 2-cyano-N-(4-fluoro-2-hydroxy-6-iodophenyl)acetamide?
The canonical SMILES for 2-cyano-N-(4-fluoro-2-hydroxy-6-iodophenyl)acetamide is N#CCC(=O)Nc1c(O)cc(F)cc1I.
What is the InChIKey of 2-cyano-N-(4-fluoro-2-hydroxy-6-iodophenyl)acetamide?
The InChIKey is KGLSUIDVXKTDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FIN2O2/c10-5-3-6(11)9(7(14)4-5)13-8(15)1-2-12/h3-4,14H,1H2,(H,13,15).
What are the key properties of 2-cyano-N-(4-fluoro-2-hydroxy-6-iodophenyl)acetamide?
2-cyano-N-(4-fluoro-2-hydroxy-6-iodophenyl)acetamide has a molecular weight of 320.06 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(4-fluoro-2-hydroxy-6-iodophenyl)acetamide is sourced from PubChem (CID 168520911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).