2-iodo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide

C16H13F3INO — CID 26594284

IUPAC2-iodo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESO=C(NCCc1ccc(C(F)(F)F)cc1)c1ccccc1I
InChIInChI=1S/C16H13F3INO/c17-16(18,19)12-7-5-11(6-8-12)9-10-21-15(22)13-3-1-2-4-14(13)20/h1-8H,9-10H2,(H,21,22)
InChIKeyFEBQILUCRBQEEA-UHFFFAOYSA-N
MW419.18 g/mol
LogP4.28
Rot. Bonds4

About 2-iodo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide

2-iodo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide (PubChem CID 26594284) has the molecular formula C16H13F3INO and a molecular weight of 419.18 g/mol. Its IUPAC name is 2-iodo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name2-iodo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
PubChem CID26594284
Molecular FormulaC16H13F3INO
Molecular Weight419.18 g/mol
Exact Mass419.00
IUPAC Name2-iodo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESO=C(NCCc1ccc(C(F)(F)F)cc1)c1ccccc1I
InChIInChI=1S/C16H13F3INO/c17-16(18,19)12-7-5-11(6-8-12)9-10-21-15(22)13-3-1-2-4-14(13)20/h1-8H,9-10H2,(H,21,22)
InChIKeyFEBQILUCRBQEEA-UHFFFAOYSA-N
XLogP4.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.18
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-hydroxyphenyl)ethyl]-2-iodobenzamide
CID 47059383
2-iodo-N-(2-pyridin-4-ylethyl)benzamide
CID 61400553
2,3-dichloro-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 26594295
N-(2-phenylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 58853713
2-methyl-N-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]benzamide
CID 51162268
2-(tetrazol-1-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 17412980
2-chloro-N-[2-[[N'-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111295818
2-iodo-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide
CID 29263740
2-oxo-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 154260012
4-(benzenesulfonamido)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 31147171
2-hydroxy-N-[2-[(2-iodobenzoyl)amino]ethyl]benzamide
CID 108539161
2-iodo-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide
CID 108539180

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
The IUPAC name of 2-iodo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide (CID 26594284) is 2-iodo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide.
What is the SMILES notation for 2-iodo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
The canonical SMILES for 2-iodo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide is O=C(NCCc1ccc(C(F)(F)F)cc1)c1ccccc1I.
What is the InChIKey of 2-iodo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
The InChIKey is FEBQILUCRBQEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3INO/c17-16(18,19)12-7-5-11(6-8-12)9-10-21-15(22)13-3-1-2-4-14(13)20/h1-8H,9-10H2,(H,21,22).
What are the key properties of 2-iodo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
2-iodo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide has a molecular weight of 419.18 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide is sourced from PubChem (CID 26594284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).