N-ethyl-4-iodo-3-(2,2,2-trifluoroethoxy)benzamide

C11H11F3INO2 — CID 67216334

IUPACN-ethyl-4-iodo-3-(2,2,2-trifluoroethoxy)benzamide
SMILESCCNC(=O)c1ccc(I)c(OCC(F)(F)F)c1
InChIInChI=1S/C11H11F3INO2/c1-2-16-10(17)7-3-4-8(15)9(5-7)18-6-11(12,13)14/h3-5H,2,6H2,1H3,(H,16,17)
InChIKeyXXASOEIFASUCNK-UHFFFAOYSA-N
MW373.11 g/mol
LogP2.98
Rot. Bonds4

About N-ethyl-4-iodo-3-(2,2,2-trifluoroethoxy)benzamide

N-ethyl-4-iodo-3-(2,2,2-trifluoroethoxy)benzamide (PubChem CID 67216334) has the molecular formula C11H11F3INO2 and a molecular weight of 373.11 g/mol. Its IUPAC name is N-ethyl-4-iodo-3-(2,2,2-trifluoroethoxy)benzamide.

Molecular Properties

Compound NameN-ethyl-4-iodo-3-(2,2,2-trifluoroethoxy)benzamide
PubChem CID67216334
Molecular FormulaC11H11F3INO2
Molecular Weight373.11 g/mol
Exact Mass372.98
IUPAC NameN-ethyl-4-iodo-3-(2,2,2-trifluoroethoxy)benzamide
SMILESCCNC(=O)c1ccc(I)c(OCC(F)(F)F)c1
InChIInChI=1S/C11H11F3INO2/c1-2-16-10(17)7-3-4-8(15)9(5-7)18-6-11(12,13)14/h3-5H,2,6H2,1H3,(H,16,17)
InChIKeyXXASOEIFASUCNK-UHFFFAOYSA-N
XLogP2.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.11
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-iodo-3-(2,2,2-trifluoroethoxy)benzamide?
The IUPAC name of N-ethyl-4-iodo-3-(2,2,2-trifluoroethoxy)benzamide (CID 67216334) is N-ethyl-4-iodo-3-(2,2,2-trifluoroethoxy)benzamide.
What is the SMILES notation for N-ethyl-4-iodo-3-(2,2,2-trifluoroethoxy)benzamide?
The canonical SMILES for N-ethyl-4-iodo-3-(2,2,2-trifluoroethoxy)benzamide is CCNC(=O)c1ccc(I)c(OCC(F)(F)F)c1.
What is the InChIKey of N-ethyl-4-iodo-3-(2,2,2-trifluoroethoxy)benzamide?
The InChIKey is XXASOEIFASUCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3INO2/c1-2-16-10(17)7-3-4-8(15)9(5-7)18-6-11(12,13)14/h3-5H,2,6H2,1H3,(H,16,17).
What are the key properties of N-ethyl-4-iodo-3-(2,2,2-trifluoroethoxy)benzamide?
N-ethyl-4-iodo-3-(2,2,2-trifluoroethoxy)benzamide has a molecular weight of 373.11 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-iodo-3-(2,2,2-trifluoroethoxy)benzamide is sourced from PubChem (CID 67216334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).