N-ethoxy-2-iodo-4-(trifluoromethyl)benzamide

C10H9F3INO2 — CID 91070985

IUPACN-ethoxy-2-iodo-4-(trifluoromethyl)benzamide
SMILESCCONC(=O)c1ccc(C(F)(F)F)cc1I
InChIInChI=1S/C10H9F3INO2/c1-2-17-15-9(16)7-4-3-6(5-8(7)14)10(11,12)13/h3-5H,2H2,1H3,(H,15,16)
InChIKeyAIMGIQBUDDFEDR-UHFFFAOYSA-N
MW359.09 g/mol
LogP2.99
Rot. Bonds3

About N-ethoxy-2-iodo-4-(trifluoromethyl)benzamide

N-ethoxy-2-iodo-4-(trifluoromethyl)benzamide (PubChem CID 91070985) has the molecular formula C10H9F3INO2 and a molecular weight of 359.09 g/mol. Its IUPAC name is N-ethoxy-2-iodo-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-ethoxy-2-iodo-4-(trifluoromethyl)benzamide
PubChem CID91070985
Molecular FormulaC10H9F3INO2
Molecular Weight359.09 g/mol
Exact Mass358.96
IUPAC NameN-ethoxy-2-iodo-4-(trifluoromethyl)benzamide
SMILESCCONC(=O)c1ccc(C(F)(F)F)cc1I
InChIInChI=1S/C10H9F3INO2/c1-2-17-15-9(16)7-4-3-6(5-8(7)14)10(11,12)13/h3-5H,2H2,1H3,(H,15,16)
InChIKeyAIMGIQBUDDFEDR-UHFFFAOYSA-N
XLogP2.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.09
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-(2-methoxyethoxy)-5-(trifluoromethyl)benzamide
CID 80712032
4-fluoro-2-iodo-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide
CID 38905531
N-ethoxy-2-hydroxy-3,5-diiodobenzamide
CID 60717182
N-(2-amino-2-oxoethoxy)-2-fluoro-5-(trifluoromethyl)benzamide
CID 112551178
2-chloro-N-ethoxy-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 46536488
2-amino-4-(trifluoromethyl)benzohydrazide;ethane
CID 145124989
ethyl 5-[2,4-bis(trifluoromethyl)phenyl]-5-oxopentanoate
CID 146008654
ethyl 2-(dibromomethyl)-4-(trifluoromethyl)benzoate
CID 69434080
1,3-bis[2-methyl-4-(trifluoromethyl)phenyl]propane-1,3-dione
CID 57301024
ethyl 3-[2-acetyl-5-(trifluoromethyl)anilino]-3-oxopropanoate
CID 67133787
ethyl 2-ethylsulfanyl-4-(trifluoromethyl)benzoate
CID 91876377
ethyl 2-bromo-5-(trifluoromethyl)benzoate
CID 46311281

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-2-iodo-4-(trifluoromethyl)benzamide?
The IUPAC name of N-ethoxy-2-iodo-4-(trifluoromethyl)benzamide (CID 91070985) is N-ethoxy-2-iodo-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-ethoxy-2-iodo-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-ethoxy-2-iodo-4-(trifluoromethyl)benzamide is CCONC(=O)c1ccc(C(F)(F)F)cc1I.
What is the InChIKey of N-ethoxy-2-iodo-4-(trifluoromethyl)benzamide?
The InChIKey is AIMGIQBUDDFEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3INO2/c1-2-17-15-9(16)7-4-3-6(5-8(7)14)10(11,12)13/h3-5H,2H2,1H3,(H,15,16).
What are the key properties of N-ethoxy-2-iodo-4-(trifluoromethyl)benzamide?
N-ethoxy-2-iodo-4-(trifluoromethyl)benzamide has a molecular weight of 359.09 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-2-iodo-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 91070985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).