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

C16H12Cl3NO3 — CID 1047129

IUPACN-(4-acetylphenyl)-2-(2,4,5-trichlorophenoxy)acetamide
SMILESCC(=O)c1ccc(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)cc1
InChIInChI=1S/C16H12Cl3NO3/c1-9(21)10-2-4-11(5-3-10)20-16(22)8-23-15-7-13(18)12(17)6-14(15)19/h2-7H,8H2,1H3,(H,20,22)
InChIKeyHYDWFGVCJDTBNG-UHFFFAOYSA-N
MW372.64 g/mol
LogP4.87
Rot. Bonds5

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

N-(4-acetylphenyl)-2-(2,4,5-trichlorophenoxy)acetamide (PubChem CID 1047129) has the molecular formula C16H12Cl3NO3 and a molecular weight of 372.64 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(2,4,5-trichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(2,4,5-trichlorophenoxy)acetamide
PubChem CID1047129
Molecular FormulaC16H12Cl3NO3
Molecular Weight372.64 g/mol
Exact Mass370.99
IUPAC NameN-(4-acetylphenyl)-2-(2,4,5-trichlorophenoxy)acetamide
SMILESCC(=O)c1ccc(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)cc1
InChIInChI=1S/C16H12Cl3NO3/c1-9(21)10-2-4-11(5-3-10)20-16(22)8-23-15-7-13(18)12(17)6-14(15)19/h2-7H,8H2,1H3,(H,20,22)
InChIKeyHYDWFGVCJDTBNG-UHFFFAOYSA-N
XLogP4.87
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.64
LogP ≤ 54.87
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-(4-acetylphenyl)-2-(2,5-dichlorophenoxy)acetamide
CID 724281
N-(4-aminophenyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 29274448
N-(4-acetamidophenyl)-2-(2-chloro-5-methylphenoxy)acetamide
CID 7731856
N-(4-acetylphenyl)-2-(2,4,5-trimethylphenoxy)acetamide
CID 17360274
N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 1039828
4-chloro-N-[4-[C-methyl-N-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]carbonimidoyl]phenyl]benzamide
CID 3417059
N-[4-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 21211528
N-(4-acetylphenyl)-2-(2-nitrophenoxy)acetamide
CID 717260
4-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 8503681
2-(2,4-dichloro-5-methylphenoxy)-N-pyridin-4-ylacetamide
CID 134123433
N-[4-(4-acetylanilino)phenyl]-2-(2-methoxyphenoxy)acetamide
CID 112988234
N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 19685551

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(2,4,5-trichlorophenoxy)acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-(2,4,5-trichlorophenoxy)acetamide (CID 1047129) is N-(4-acetylphenyl)-2-(2,4,5-trichlorophenoxy)acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(2,4,5-trichlorophenoxy)acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(2,4,5-trichlorophenoxy)acetamide is CC(=O)c1ccc(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(2,4,5-trichlorophenoxy)acetamide?
The InChIKey is HYDWFGVCJDTBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl3NO3/c1-9(21)10-2-4-11(5-3-10)20-16(22)8-23-15-7-13(18)12(17)6-14(15)19/h2-7H,8H2,1H3,(H,20,22).
What are the key properties of N-(4-acetylphenyl)-2-(2,4,5-trichlorophenoxy)acetamide?
N-(4-acetylphenyl)-2-(2,4,5-trichlorophenoxy)acetamide has a molecular weight of 372.64 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(2,4,5-trichlorophenoxy)acetamide is sourced from PubChem (CID 1047129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).