N-(2-iodophenyl)-2-(2,4,5-trichlorophenoxy)acetamide

C14H9Cl3INO2 — CID 21212586

IUPACN-(2-iodophenyl)-2-(2,4,5-trichlorophenoxy)acetamide
SMILESO=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1ccccc1I
InChIInChI=1S/C14H9Cl3INO2/c15-8-5-10(17)13(6-9(8)16)21-7-14(20)19-12-4-2-1-3-11(12)18/h1-6H,7H2,(H,19,20)
InChIKeyNCAIYXAMFXPXAC-UHFFFAOYSA-N
MW456.49 g/mol
LogP5.27
Rot. Bonds4

About N-(2-iodophenyl)-2-(2,4,5-trichlorophenoxy)acetamide

N-(2-iodophenyl)-2-(2,4,5-trichlorophenoxy)acetamide (PubChem CID 21212586) has the molecular formula C14H9Cl3INO2 and a molecular weight of 456.49 g/mol. Its IUPAC name is N-(2-iodophenyl)-2-(2,4,5-trichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-iodophenyl)-2-(2,4,5-trichlorophenoxy)acetamide
PubChem CID21212586
Molecular FormulaC14H9Cl3INO2
Molecular Weight456.49 g/mol
Exact Mass454.87
IUPAC NameN-(2-iodophenyl)-2-(2,4,5-trichlorophenoxy)acetamide
SMILESO=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1ccccc1I
InChIInChI=1S/C14H9Cl3INO2/c15-8-5-10(17)13(6-9(8)16)21-7-14(20)19-12-4-2-1-3-11(12)18/h1-6H,7H2,(H,19,20)
InChIKeyNCAIYXAMFXPXAC-UHFFFAOYSA-N
XLogP5.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.49
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethylphenyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 5102467
N-(2-phenylphenyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 7929959
2-(2-chloro-4-nitrophenoxy)-N-(2-iodophenyl)acetamide
CID 35942555
N-(2-cyanophenyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 4511857
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-iodophenyl)acetamide
CID 1329877
methyl 2-[2-(2-iodoanilino)-2-oxoethoxy]benzoate
CID 7763964
N-(2-chloro-4-fluorophenyl)-2-(2-iodophenoxy)acetamide
CID 38878049
2-(2-chlorophenoxy)-N-[2-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]acetamide
CID 1032604
2-(2-chloro-5-methylphenoxy)-N-(2-chlorophenyl)acetamide
CID 2611371
2-(2-tert-butylphenoxy)-N-(2-iodophenyl)acetamide
CID 36678366
N-(2-iodophenyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 7900625
N-(2-chlorophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 744320

Frequently Asked Questions

What is the IUPAC name of N-(2-iodophenyl)-2-(2,4,5-trichlorophenoxy)acetamide?
The IUPAC name of N-(2-iodophenyl)-2-(2,4,5-trichlorophenoxy)acetamide (CID 21212586) is N-(2-iodophenyl)-2-(2,4,5-trichlorophenoxy)acetamide.
What is the SMILES notation for N-(2-iodophenyl)-2-(2,4,5-trichlorophenoxy)acetamide?
The canonical SMILES for N-(2-iodophenyl)-2-(2,4,5-trichlorophenoxy)acetamide is O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1ccccc1I.
What is the InChIKey of N-(2-iodophenyl)-2-(2,4,5-trichlorophenoxy)acetamide?
The InChIKey is NCAIYXAMFXPXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl3INO2/c15-8-5-10(17)13(6-9(8)16)21-7-14(20)19-12-4-2-1-3-11(12)18/h1-6H,7H2,(H,19,20).
What are the key properties of N-(2-iodophenyl)-2-(2,4,5-trichlorophenoxy)acetamide?
N-(2-iodophenyl)-2-(2,4,5-trichlorophenoxy)acetamide has a molecular weight of 456.49 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodophenyl)-2-(2,4,5-trichlorophenoxy)acetamide is sourced from PubChem (CID 21212586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).