2-(2,4-dimethylphenoxy)-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]acetamide

C19H16Cl3N3O3 — CID 22967776

IUPAC2-(2,4-dimethylphenoxy)-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]acetamide
SMILESCc1ccc(OCC(=O)NC2=NN(c3c(Cl)cc(Cl)cc3Cl)C(=O)C2)c(C)c1
InChIInChI=1S/C19H16Cl3N3O3/c1-10-3-4-15(11(2)5-10)28-9-17(26)23-16-8-18(27)25(24-16)19-13(21)6-12(20)7-14(19)22/h3-7H,8-9H2,1-2H3,(H,23,24,26)
InChIKeyGNTMGMRNSVVSHA-UHFFFAOYSA-N
MW440.71 g/mol
LogP4.51
Rot. Bonds4

About 2-(2,4-dimethylphenoxy)-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]acetamide

2-(2,4-dimethylphenoxy)-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]acetamide (PubChem CID 22967776) has the molecular formula C19H16Cl3N3O3 and a molecular weight of 440.71 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]acetamide
PubChem CID22967776
Molecular FormulaC19H16Cl3N3O3
Molecular Weight440.71 g/mol
Exact Mass439.03
IUPAC Name2-(2,4-dimethylphenoxy)-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]acetamide
SMILESCc1ccc(OCC(=O)NC2=NN(c3c(Cl)cc(Cl)cc3Cl)C(=O)C2)c(C)c1
InChIInChI=1S/C19H16Cl3N3O3/c1-10-3-4-15(11(2)5-10)28-9-17(26)23-16-8-18(27)25(24-16)19-13(21)6-12(20)7-14(19)22/h3-7H,8-9H2,1-2H3,(H,23,24,26)
InChIKeyGNTMGMRNSVVSHA-UHFFFAOYSA-N
XLogP4.51
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.71
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_5_B(4)', 'substructure': 'N/A'}

Analyze 2-(2,4-dimethylphenoxy)-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chloro-4-fluorophenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 800993
2-(4-chloro-2-methylphenoxy)-N-(2-chloro-4-methylphenyl)acetamide
CID 7926730
N-(6-chloro-4-methyl-3-pyridinyl)-2-(2,4-dimethylphenoxy)acetamide
CID 99638494
2-(2,4-dimethylphenoxy)-N-pyrimidin-2-ylacetamide
CID 891327
2-(2,4-dimethylphenoxy)-N-(5-methyl-2-pyridinyl)acetamide
CID 837547
N-(4,6-diamino-1,3,5-triazin-2-yl)-2-(2,4-dimethylphenoxy)acetamide
CID 70962503
2-(2-bromo-4-methylphenoxy)-N-(3,5-dichlorophenyl)acetamide
CID 1369656
2-(4-chloro-2-methylphenoxy)-N-(2,4-dichlorophenyl)acetamide
CID 923084
ethyl N-[6-(diethylamino)-2-methyl-3-pyridinyl]-N-[3-[[3-[[2-(2,4-dimethylphenoxy)acetyl]amino]benzoyl]amino]-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-4-yl]carbamate
CID 21059157
2-(2,4-dimethylphenoxy)-N-methylacetamide
CID 965410
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
CID 7814259
2-(2,4-dimethylphenoxy)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 17434847

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]acetamide?
The IUPAC name of 2-(2,4-dimethylphenoxy)-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]acetamide (CID 22967776) is 2-(2,4-dimethylphenoxy)-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]acetamide is Cc1ccc(OCC(=O)NC2=NN(c3c(Cl)cc(Cl)cc3Cl)C(=O)C2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]acetamide?
The InChIKey is GNTMGMRNSVVSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl3N3O3/c1-10-3-4-15(11(2)5-10)28-9-17(26)23-16-8-18(27)25(24-16)19-13(21)6-12(20)7-14(19)22/h3-7H,8-9H2,1-2H3,(H,23,24,26).
What are the key properties of 2-(2,4-dimethylphenoxy)-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]acetamide?
2-(2,4-dimethylphenoxy)-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]acetamide has a molecular weight of 440.71 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]acetamide is sourced from PubChem (CID 22967776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).