2-(4-phenylphenoxy)-N-(2,4,5-trichlorophenyl)acetamide

C20H14Cl3NO2 — CID 4511691

IUPAC2-(4-phenylphenoxy)-N-(2,4,5-trichlorophenyl)acetamide
SMILESO=C(COc1ccc(-c2ccccc2)cc1)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C20H14Cl3NO2/c21-16-10-18(23)19(11-17(16)22)24-20(25)12-26-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-11H,12H2,(H,24,25)
InChIKeyMITCDUWXSUBMPY-UHFFFAOYSA-N
MW406.70 g/mol
LogP6.33
Rot. Bonds5

About 2-(4-phenylphenoxy)-N-(2,4,5-trichlorophenyl)acetamide

2-(4-phenylphenoxy)-N-(2,4,5-trichlorophenyl)acetamide (PubChem CID 4511691) has the molecular formula C20H14Cl3NO2 and a molecular weight of 406.70 g/mol. Its IUPAC name is 2-(4-phenylphenoxy)-N-(2,4,5-trichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-phenylphenoxy)-N-(2,4,5-trichlorophenyl)acetamide
PubChem CID4511691
Molecular FormulaC20H14Cl3NO2
Molecular Weight406.70 g/mol
Exact Mass405.01
IUPAC Name2-(4-phenylphenoxy)-N-(2,4,5-trichlorophenyl)acetamide
SMILESO=C(COc1ccc(-c2ccccc2)cc1)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C20H14Cl3NO2/c21-16-10-18(23)19(11-17(16)22)24-20(25)12-26-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-11H,12H2,(H,24,25)
InChIKeyMITCDUWXSUBMPY-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

N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-phenylphenoxy)acetamide
CID 1189115
N-(2-bromophenyl)-2-(4-phenylphenoxy)acetamide
CID 1193865
N-(5-chloro-2-methoxyphenyl)-2-(4-phenylphenoxy)acetamide
CID 1193872
N-(2-benzoyl-4-chlorophenyl)-2-(4-phenylphenoxy)acetamide
CID 19169901
N-(2,4-dichlorophenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 2515961
N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-2-(4-phenylphenoxy)acetamide
CID 95733672
N-(2-ethoxyphenyl)-2-(4-phenylphenoxy)acetamide
CID 7919529
3-[[2-(4-phenylphenoxy)acetyl]amino]furan-2-carboxylic acid
CID 59781223
methyl 2-[[2-(4-phenylphenoxy)acetyl]amino]benzoate
CID 1183013
2-(4-methylphenoxy)-N-[(2,4,5-trichlorophenyl)carbamothioyl]acetamide
CID 4634338
N-(2-phenylphenyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 7929959
4-[[2-(4-phenylphenoxy)acetyl]amino]furan-3-carboxylic acid
CID 59781234

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphenoxy)-N-(2,4,5-trichlorophenyl)acetamide?
The IUPAC name of 2-(4-phenylphenoxy)-N-(2,4,5-trichlorophenyl)acetamide (CID 4511691) is 2-(4-phenylphenoxy)-N-(2,4,5-trichlorophenyl)acetamide.
What is the SMILES notation for 2-(4-phenylphenoxy)-N-(2,4,5-trichlorophenyl)acetamide?
The canonical SMILES for 2-(4-phenylphenoxy)-N-(2,4,5-trichlorophenyl)acetamide is O=C(COc1ccc(-c2ccccc2)cc1)Nc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 2-(4-phenylphenoxy)-N-(2,4,5-trichlorophenyl)acetamide?
The InChIKey is MITCDUWXSUBMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl3NO2/c21-16-10-18(23)19(11-17(16)22)24-20(25)12-26-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-11H,12H2,(H,24,25).
What are the key properties of 2-(4-phenylphenoxy)-N-(2,4,5-trichlorophenyl)acetamide?
2-(4-phenylphenoxy)-N-(2,4,5-trichlorophenyl)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 2-(4-phenylphenoxy)-N-(2,4,5-trichlorophenyl)acetamide is sourced from PubChem (CID 4511691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).