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

C20H14Cl3NO2 — CID 7929959

IUPACN-(2-phenylphenyl)-2-(2,4,5-trichlorophenoxy)acetamide
SMILESO=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C20H14Cl3NO2/c21-15-10-17(23)19(11-16(15)22)26-12-20(25)24-18-9-5-4-8-14(18)13-6-2-1-3-7-13/h1-11H,12H2,(H,24,25)
InChIKeyJPWKPIHMEGQHDN-UHFFFAOYSA-N
MW406.70 g/mol
LogP6.33
Rot. Bonds5

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

N-(2-phenylphenyl)-2-(2,4,5-trichlorophenoxy)acetamide (PubChem CID 7929959) has the molecular formula C20H14Cl3NO2 and a molecular weight of 406.70 g/mol. Its IUPAC name is N-(2-phenylphenyl)-2-(2,4,5-trichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-phenylphenyl)-2-(2,4,5-trichlorophenoxy)acetamide
PubChem CID7929959
Molecular FormulaC20H14Cl3NO2
Molecular Weight406.70 g/mol
Exact Mass405.01
IUPAC NameN-(2-phenylphenyl)-2-(2,4,5-trichlorophenoxy)acetamide
SMILESO=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C20H14Cl3NO2/c21-15-10-17(23)19(11-16(15)22)26-12-20(25)24-18-9-5-4-8-14(18)13-6-2-1-3-7-13/h1-11H,12H2,(H,24,25)
InChIKeyJPWKPIHMEGQHDN-UHFFFAOYSA-N
XLogP6.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.70
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromo-2-chlorophenoxy)-N-(2-phenylphenyl)acetamide
CID 2234948
N-(2-iodophenyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 21212586
N-(2-ethylphenyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 5102467
methyl 2-[2-oxo-2-(2-phenylanilino)ethoxy]benzoate
CID 7763998
2-(2,4-dichlorophenoxy)-N-[2-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]phenyl]acetamide
CID 2198238
N-(2-cyanophenyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 4511857
2-(3-chlorophenoxy)-N-(2-phenylphenyl)acetamide
CID 7818854
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-phenylphenyl)acetamide
CID 7929961
N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 60559768
2-(2-cyanophenoxy)-N-(2-phenylphenyl)acetamide
CID 7696058
2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-(2-phenylphenyl)acetamide
CID 7701761
2-(4-bromo-2,5-dimethylphenoxy)-N-(2-phenylphenyl)acetamide
CID 2233417

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylphenyl)-2-(2,4,5-trichlorophenoxy)acetamide?
The IUPAC name of N-(2-phenylphenyl)-2-(2,4,5-trichlorophenoxy)acetamide (CID 7929959) is N-(2-phenylphenyl)-2-(2,4,5-trichlorophenoxy)acetamide.
What is the SMILES notation for N-(2-phenylphenyl)-2-(2,4,5-trichlorophenoxy)acetamide?
The canonical SMILES for N-(2-phenylphenyl)-2-(2,4,5-trichlorophenoxy)acetamide is O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1ccccc1-c1ccccc1.
What is the InChIKey of N-(2-phenylphenyl)-2-(2,4,5-trichlorophenoxy)acetamide?
The InChIKey is JPWKPIHMEGQHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl3NO2/c21-15-10-17(23)19(11-16(15)22)26-12-20(25)24-18-9-5-4-8-14(18)13-6-2-1-3-7-13/h1-11H,12H2,(H,24,25).
What are the key properties of N-(2-phenylphenyl)-2-(2,4,5-trichlorophenoxy)acetamide?
N-(2-phenylphenyl)-2-(2,4,5-trichlorophenoxy)acetamide has a molecular weight of 406.70 g/mol, XLogP of 6.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylphenyl)-2-(2,4,5-trichlorophenoxy)acetamide is sourced from PubChem (CID 7929959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).