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

C15H9Cl3N2O2 — CID 4511857

IUPACN-(2-cyanophenyl)-2-(2,4,5-trichlorophenoxy)acetamide
SMILESN#Cc1ccccc1NC(=O)COc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C15H9Cl3N2O2/c16-10-5-12(18)14(6-11(10)17)22-8-15(21)20-13-4-2-1-3-9(13)7-19/h1-6H,8H2,(H,20,21)
InChIKeyGCFRQDKNQYIYEF-UHFFFAOYSA-N
MW355.61 g/mol
LogP4.54
Rot. Bonds4

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

N-(2-cyanophenyl)-2-(2,4,5-trichlorophenoxy)acetamide (PubChem CID 4511857) has the molecular formula C15H9Cl3N2O2 and a molecular weight of 355.61 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-(2,4,5-trichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-(2,4,5-trichlorophenoxy)acetamide
PubChem CID4511857
Molecular FormulaC15H9Cl3N2O2
Molecular Weight355.61 g/mol
Exact Mass353.97
IUPAC NameN-(2-cyanophenyl)-2-(2,4,5-trichlorophenoxy)acetamide
SMILESN#Cc1ccccc1NC(=O)COc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C15H9Cl3N2O2/c16-10-5-12(18)14(6-11(10)17)22-8-15(21)20-13-4-2-1-3-9(13)7-19/h1-6H,8H2,(H,20,21)
InChIKeyGCFRQDKNQYIYEF-UHFFFAOYSA-N
XLogP4.54
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.61
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyanophenyl)-2-(3,5-dichlorophenoxy)acetamide
CID 26216328
N-(2-iodophenyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 21212586
N-(2-cyanophenyl)-2-(2-methoxyphenoxy)acetamide
CID 922260
N-(2-ethylphenyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 5102467
N-(2-cyanophenyl)-2-(2-fluoro-5-methylphenoxy)acetamide
CID 64854041
N-(2-phenylphenyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 7929959
N-(2-cyanophenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 876328
2-(2-bromo-4-tert-butylphenoxy)-N-(2-cyanophenyl)acetamide
CID 2203067
2-(5-bromo-2-fluorophenoxy)-N-(2-cyanophenyl)acetamide
CID 115918411
2-[[2-(2-cyanophenoxy)acetyl]amino]benzamide
CID 7560509
N-(2-cyanophenyl)-2-(2,4-dinitrophenoxy)acetamide
CID 17359267
[2-(2-cyanoanilino)-2-oxoethyl] 3,5-dichlorobenzoate
CID 2351055

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-(2,4,5-trichlorophenoxy)acetamide?
The IUPAC name of N-(2-cyanophenyl)-2-(2,4,5-trichlorophenoxy)acetamide (CID 4511857) is N-(2-cyanophenyl)-2-(2,4,5-trichlorophenoxy)acetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-(2,4,5-trichlorophenoxy)acetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-(2,4,5-trichlorophenoxy)acetamide is N#Cc1ccccc1NC(=O)COc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of N-(2-cyanophenyl)-2-(2,4,5-trichlorophenoxy)acetamide?
The InChIKey is GCFRQDKNQYIYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl3N2O2/c16-10-5-12(18)14(6-11(10)17)22-8-15(21)20-13-4-2-1-3-9(13)7-19/h1-6H,8H2,(H,20,21).
What are the key properties of N-(2-cyanophenyl)-2-(2,4,5-trichlorophenoxy)acetamide?
N-(2-cyanophenyl)-2-(2,4,5-trichlorophenoxy)acetamide has a molecular weight of 355.61 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-(2,4,5-trichlorophenoxy)acetamide is sourced from PubChem (CID 4511857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).