2-(4-iodophenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide

C15H11F3INO2 — CID 70937420

IUPAC2-(4-iodophenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESNC(=O)C(Oc1cccc(C(F)(F)F)c1)c1ccc(I)cc1
InChIInChI=1S/C15H11F3INO2/c16-15(17,18)10-2-1-3-12(8-10)22-13(14(20)21)9-4-6-11(19)7-5-9/h1-8,13H,(H2,20,21)
InChIKeyRTAUSYRIQIFONO-UHFFFAOYSA-N
MW421.16 g/mol
LogP3.92
Rot. Bonds4

About 2-(4-iodophenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide

2-(4-iodophenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide (PubChem CID 70937420) has the molecular formula C15H11F3INO2 and a molecular weight of 421.16 g/mol. Its IUPAC name is 2-(4-iodophenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound Name2-(4-iodophenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
PubChem CID70937420
Molecular FormulaC15H11F3INO2
Molecular Weight421.16 g/mol
Exact Mass420.98
IUPAC Name2-(4-iodophenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESNC(=O)C(Oc1cccc(C(F)(F)F)c1)c1ccc(I)cc1
InChIInChI=1S/C15H11F3INO2/c16-15(17,18)10-2-1-3-12(8-10)22-13(14(20)21)9-4-6-11(19)7-5-9/h1-8,13H,(H2,20,21)
InChIKeyRTAUSYRIQIFONO-UHFFFAOYSA-N
XLogP3.92
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.16
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(trifluoromethyl)phenoxy]propanamide
CID 57207149
[3-(trifluoromethyl)phenyl] carbamate
CID 56614861
2-(4-iodophenoxy)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]acetohydrazide
CID 4844211
1-(difluoromethoxy)-3-(trifluoromethyl)benzene
CID 13405100
2-[3-(trifluoromethyl)phenoxy]acetamide
CID 18954833
(3R)-3-[3-(trifluoromethyl)phenoxy]butan-2-one
CID 6934258
2-[3-(trifluoromethyl)phenoxy]-2-[4-[2-[4-(trifluoromethyl)phenoxy]propoxy]phenyl]acetic acid
CID 22761075
tert-butyl 2-[3-(trifluoromethyl)phenoxy]propanoate
CID 66339372
2-[3-(trifluoromethyl)phenoxy]-2-[4-[2-[4-(trifluoromethyl)phenoxy]propoxy]phenyl]acetate
CID 22761074
3-[3-(trifluoromethyl)phenoxy]propanamide
CID 55207241
[amino-[4-[3-(trifluoromethyl)phenoxy]phenyl]methyl] 2,2,2-trifluoroacetate
CID 118413748
CID 87618291
CID 87618291

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of 2-(4-iodophenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide (CID 70937420) is 2-(4-iodophenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for 2-(4-iodophenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for 2-(4-iodophenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide is NC(=O)C(Oc1cccc(C(F)(F)F)c1)c1ccc(I)cc1.
What is the InChIKey of 2-(4-iodophenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is RTAUSYRIQIFONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3INO2/c16-15(17,18)10-2-1-3-12(8-10)22-13(14(20)21)9-4-6-11(19)7-5-9/h1-8,13H,(H2,20,21).
What are the key properties of 2-(4-iodophenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide?
2-(4-iodophenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 421.16 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 70937420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).