N-[4-iodo-2-(trifluoromethyl)phenyl]-2-(2-nitrophenoxy)acetamide

C15H10F3IN2O4 — CID 2954028

IUPACN-[4-iodo-2-(trifluoromethyl)phenyl]-2-(2-nitrophenoxy)acetamide
SMILESO=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(I)cc1C(F)(F)F
InChIInChI=1S/C15H10F3IN2O4/c16-15(17,18)10-7-9(19)5-6-11(10)20-14(22)8-25-13-4-2-1-3-12(13)21(23)24/h1-7H,8H2,(H,20,22)
InChIKeyJYOMGZOODMCTMD-UHFFFAOYSA-N
MW466.15 g/mol
LogP4.24
Rot. Bonds5

About N-[4-iodo-2-(trifluoromethyl)phenyl]-2-(2-nitrophenoxy)acetamide

N-[4-iodo-2-(trifluoromethyl)phenyl]-2-(2-nitrophenoxy)acetamide (PubChem CID 2954028) has the molecular formula C15H10F3IN2O4 and a molecular weight of 466.15 g/mol. Its IUPAC name is N-[4-iodo-2-(trifluoromethyl)phenyl]-2-(2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[4-iodo-2-(trifluoromethyl)phenyl]-2-(2-nitrophenoxy)acetamide
PubChem CID2954028
Molecular FormulaC15H10F3IN2O4
Molecular Weight466.15 g/mol
Exact Mass465.96
IUPAC NameN-[4-iodo-2-(trifluoromethyl)phenyl]-2-(2-nitrophenoxy)acetamide
SMILESO=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(I)cc1C(F)(F)F
InChIInChI=1S/C15H10F3IN2O4/c16-15(17,18)10-7-9(19)5-6-11(10)20-14(22)8-25-13-4-2-1-3-12(13)21(23)24/h1-7H,8H2,(H,20,22)
InChIKeyJYOMGZOODMCTMD-UHFFFAOYSA-N
XLogP4.24
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.15
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(5-fluoro-2-nitrophenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 7846247
N-(4-fluoro-2-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 7751875
2-(2-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 2500342
N-(2-hydroxy-4-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 46663706
2-(4-chloro-2-methylphenoxy)-N-[4-iodo-2-(trifluoromethyl)phenyl]acetamide
CID 5111404
N-(2-chloro-4-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 2500579
N-(3,5-difluorophenyl)-2-(2-nitrophenoxy)acetamide
CID 41161775
N-(2,5-dibromophenyl)-2-(2-nitrophenoxy)acetamide
CID 39166885
N-(3-acetamido-2-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 134019256
2-(4-ethylphenoxy)-N-[4-iodo-2-(trifluoromethyl)phenyl]acetamide
CID 1293662
2-(3,4-dimethylphenoxy)-N-[4-iodo-2-(trifluoromethyl)phenyl]acetamide
CID 3360136
2-(2-tert-butylphenoxy)-N-(4-methyl-2-nitrophenyl)acetamide
CID 19173234

Frequently Asked Questions

What is the IUPAC name of N-[4-iodo-2-(trifluoromethyl)phenyl]-2-(2-nitrophenoxy)acetamide?
The IUPAC name of N-[4-iodo-2-(trifluoromethyl)phenyl]-2-(2-nitrophenoxy)acetamide (CID 2954028) is N-[4-iodo-2-(trifluoromethyl)phenyl]-2-(2-nitrophenoxy)acetamide.
What is the SMILES notation for N-[4-iodo-2-(trifluoromethyl)phenyl]-2-(2-nitrophenoxy)acetamide?
The canonical SMILES for N-[4-iodo-2-(trifluoromethyl)phenyl]-2-(2-nitrophenoxy)acetamide is O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(I)cc1C(F)(F)F.
What is the InChIKey of N-[4-iodo-2-(trifluoromethyl)phenyl]-2-(2-nitrophenoxy)acetamide?
The InChIKey is JYOMGZOODMCTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3IN2O4/c16-15(17,18)10-7-9(19)5-6-11(10)20-14(22)8-25-13-4-2-1-3-12(13)21(23)24/h1-7H,8H2,(H,20,22).
What are the key properties of N-[4-iodo-2-(trifluoromethyl)phenyl]-2-(2-nitrophenoxy)acetamide?
N-[4-iodo-2-(trifluoromethyl)phenyl]-2-(2-nitrophenoxy)acetamide has a molecular weight of 466.15 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-iodo-2-(trifluoromethyl)phenyl]-2-(2-nitrophenoxy)acetamide is sourced from PubChem (CID 2954028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).