N-phenyl-2-[4-[2-(2,4,5-trichlorophenoxy)acetyl]piperazin-1-yl]acetamide

C20H20Cl3N3O3 — CID 34432596

IUPACN-phenyl-2-[4-[2-(2,4,5-trichlorophenoxy)acetyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)COc2cc(Cl)c(Cl)cc2Cl)CC1)Nc1ccccc1
InChIInChI=1S/C20H20Cl3N3O3/c21-15-10-17(23)18(11-16(15)22)29-13-20(28)26-8-6-25(7-9-26)12-19(27)24-14-4-2-1-3-5-14/h1-5,10-11H,6-9,12-13H2,(H,24,27)
InChIKeyPOIZHTZWNVQQRA-UHFFFAOYSA-N
MW456.76 g/mol
LogP3.81
Rot. Bonds6

About N-phenyl-2-[4-[2-(2,4,5-trichlorophenoxy)acetyl]piperazin-1-yl]acetamide

N-phenyl-2-[4-[2-(2,4,5-trichlorophenoxy)acetyl]piperazin-1-yl]acetamide (PubChem CID 34432596) has the molecular formula C20H20Cl3N3O3 and a molecular weight of 456.76 g/mol. Its IUPAC name is N-phenyl-2-[4-[2-(2,4,5-trichlorophenoxy)acetyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-phenyl-2-[4-[2-(2,4,5-trichlorophenoxy)acetyl]piperazin-1-yl]acetamide
PubChem CID34432596
Molecular FormulaC20H20Cl3N3O3
Molecular Weight456.76 g/mol
Exact Mass455.06
IUPAC NameN-phenyl-2-[4-[2-(2,4,5-trichlorophenoxy)acetyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)COc2cc(Cl)c(Cl)cc2Cl)CC1)Nc1ccccc1
InChIInChI=1S/C20H20Cl3N3O3/c21-15-10-17(23)18(11-16(15)22)29-13-20(28)26-8-6-25(7-9-26)12-19(27)24-14-4-2-1-3-5-14/h1-5,10-11H,6-9,12-13H2,(H,24,27)
InChIKeyPOIZHTZWNVQQRA-UHFFFAOYSA-N
XLogP3.81
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.76
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-[4-[2-(2,4,5-trichlorophenoxy)acetyl]piperazin-1-yl]acetamide
CID 78801280
2-[4-[2-(4-bromo-2-fluorophenoxy)acetyl]piperazin-1-yl]-N-phenylacetamide
CID 30292786
2-[4-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]piperazin-1-yl]-N-phenylacetamide
CID 31348908
2-[4-[2-(3,4-dichlorophenoxy)acetyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 30749852
2-[4-[2-(2-chlorophenoxy)acetyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 9021527
N-[2-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide
CID 34432708
1-pyrrolidin-1-yl-2-(2,4,5-trichlorophenoxy)ethanone
CID 977971
2-[4-[2-(4-benzylpiperazin-1-yl)acetyl]piperazin-1-yl]-N-phenylacetamide
CID 30863583
1-(4-pyridin-2-ylpiperazin-1-yl)-2-(2,4,5-trichlorophenoxy)ethanone
CID 2953997
2-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-N-phenylacetamide
CID 34432845
2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-N-phenylacetamide
CID 31149355
5-chloro-2-[2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethoxy]benzamide
CID 24598922

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-[4-[2-(2,4,5-trichlorophenoxy)acetyl]piperazin-1-yl]acetamide?
The IUPAC name of N-phenyl-2-[4-[2-(2,4,5-trichlorophenoxy)acetyl]piperazin-1-yl]acetamide (CID 34432596) is N-phenyl-2-[4-[2-(2,4,5-trichlorophenoxy)acetyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-phenyl-2-[4-[2-(2,4,5-trichlorophenoxy)acetyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-phenyl-2-[4-[2-(2,4,5-trichlorophenoxy)acetyl]piperazin-1-yl]acetamide is O=C(CN1CCN(C(=O)COc2cc(Cl)c(Cl)cc2Cl)CC1)Nc1ccccc1.
What is the InChIKey of N-phenyl-2-[4-[2-(2,4,5-trichlorophenoxy)acetyl]piperazin-1-yl]acetamide?
The InChIKey is POIZHTZWNVQQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl3N3O3/c21-15-10-17(23)18(11-16(15)22)29-13-20(28)26-8-6-25(7-9-26)12-19(27)24-14-4-2-1-3-5-14/h1-5,10-11H,6-9,12-13H2,(H,24,27).
What are the key properties of N-phenyl-2-[4-[2-(2,4,5-trichlorophenoxy)acetyl]piperazin-1-yl]acetamide?
N-phenyl-2-[4-[2-(2,4,5-trichlorophenoxy)acetyl]piperazin-1-yl]acetamide has a molecular weight of 456.76 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-[4-[2-(2,4,5-trichlorophenoxy)acetyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 34432596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).