N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-4-fluoro-2-iodobenzamide

C16H9F4IN2O2 — CID 55743956

IUPACN-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-4-fluoro-2-iodobenzamide
SMILESN#Cc1cc(NC(=O)c2ccc(F)cc2I)ccc1OCC(F)(F)F
InChIInChI=1S/C16H9F4IN2O2/c17-10-1-3-12(13(21)6-10)15(24)23-11-2-4-14(9(5-11)7-22)25-8-16(18,19)20/h1-6H,8H2,(H,23,24)
InChIKeyMUNBKQRDXQIOOI-UHFFFAOYSA-N
MW464.16 g/mol
LogP4.50
Rot. Bonds4

About N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-4-fluoro-2-iodobenzamide

N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-4-fluoro-2-iodobenzamide (PubChem CID 55743956) has the molecular formula C16H9F4IN2O2 and a molecular weight of 464.16 g/mol. Its IUPAC name is N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-4-fluoro-2-iodobenzamide.

Molecular Properties

Compound NameN-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-4-fluoro-2-iodobenzamide
PubChem CID55743956
Molecular FormulaC16H9F4IN2O2
Molecular Weight464.16 g/mol
Exact Mass463.96
IUPAC NameN-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-4-fluoro-2-iodobenzamide
SMILESN#Cc1cc(NC(=O)c2ccc(F)cc2I)ccc1OCC(F)(F)F
InChIInChI=1S/C16H9F4IN2O2/c17-10-1-3-12(13(21)6-10)15(24)23-11-2-4-14(9(5-11)7-22)25-8-16(18,19)20/h1-6H,8H2,(H,23,24)
InChIKeyMUNBKQRDXQIOOI-UHFFFAOYSA-N
XLogP4.50
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.16
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-4-fluoro-2-iodobenzamide 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

N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-2,5-dimethoxybenzamide
CID 55710580
N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 55961636
N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]quinoline-2-carboxamide
CID 55711742
4-(tert-butylsulfamoyl)-N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 46487287
N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-6-methoxy-2-methylquinoline-3-carboxamide
CID 46467441
N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-2-hydroxycyclopentane-1-carboxamide
CID 110015275
N-(3,4-dicyanophenyl)-5-fluoro-2-hydroxybenzamide
CID 103944404
N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-2-(2,6-dimethylphenoxy)acetamide
CID 55710758
N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 55710835
1-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-3-[(2R)-2-hydroxy-2-methylbutyl]urea
CID 95168025
N-[3-[3-cyano-4-(2,2,2-trifluoroethoxy)anilino]-3-oxopropyl]-2-methylbenzamide
CID 55710958
N-[1-[3-cyano-4-(2,2,2-trifluoroethoxy)anilino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 55710601

Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-4-fluoro-2-iodobenzamide?
The IUPAC name of N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-4-fluoro-2-iodobenzamide (CID 55743956) is N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-4-fluoro-2-iodobenzamide.
What is the SMILES notation for N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-4-fluoro-2-iodobenzamide?
The canonical SMILES for N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-4-fluoro-2-iodobenzamide is N#Cc1cc(NC(=O)c2ccc(F)cc2I)ccc1OCC(F)(F)F.
What is the InChIKey of N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-4-fluoro-2-iodobenzamide?
The InChIKey is MUNBKQRDXQIOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F4IN2O2/c17-10-1-3-12(13(21)6-10)15(24)23-11-2-4-14(9(5-11)7-22)25-8-16(18,19)20/h1-6H,8H2,(H,23,24).
What are the key properties of N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-4-fluoro-2-iodobenzamide?
N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-4-fluoro-2-iodobenzamide has a molecular weight of 464.16 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-4-fluoro-2-iodobenzamide is sourced from PubChem (CID 55743956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).