N-(2-chlorophenyl)-2-[4-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]piperazin-1-yl]acetamide

C20H20Cl4N4O2 — CID 29161558

IUPACN-(2-chlorophenyl)-2-[4-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)CC1)Nc1ccccc1Cl
InChIInChI=1S/C20H20Cl4N4O2/c21-13-9-15(23)20(16(24)10-13)26-19(30)12-28-7-5-27(6-8-28)11-18(29)25-17-4-2-1-3-14(17)22/h1-4,9-10H,5-8,11-12H2,(H,25,29)(H,26,30)
InChIKeyDCMMSZCJPFVEAK-UHFFFAOYSA-N
MW490.22 g/mol
LogP4.49
Rot. Bonds6

About N-(2-chlorophenyl)-2-[4-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]piperazin-1-yl]acetamide

N-(2-chlorophenyl)-2-[4-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]piperazin-1-yl]acetamide (PubChem CID 29161558) has the molecular formula C20H20Cl4N4O2 and a molecular weight of 490.22 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[4-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[4-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]piperazin-1-yl]acetamide
PubChem CID29161558
Molecular FormulaC20H20Cl4N4O2
Molecular Weight490.22 g/mol
Exact Mass488.03
IUPAC NameN-(2-chlorophenyl)-2-[4-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)CC1)Nc1ccccc1Cl
InChIInChI=1S/C20H20Cl4N4O2/c21-13-9-15(23)20(16(24)10-13)26-19(30)12-28-7-5-27(6-8-28)11-18(29)25-17-4-2-1-3-14(17)22/h1-4,9-10H,5-8,11-12H2,(H,25,29)(H,26,30)
InChIKeyDCMMSZCJPFVEAK-UHFFFAOYSA-N
XLogP4.49
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.22
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
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N-(2-chlorophenyl)-2-[4-[2-(2,6-diethylanilino)-2-oxoethyl]piperazin-1-yl]acetamide
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N-(2-chlorophenyl)-2-[4-(2-chlorophenyl)piperazin-1-yl]acetamide
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N-(2-chlorophenyl)-2-(4-prop-2-ynylpiperazin-1-yl)acetamide
CID 47109715
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 29161450
N-(2-chlorophenyl)-2-(4-prop-2-enylpiperazin-1-yl)acetamide
CID 78795478
2-[4-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
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2-[4-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 9434323
4-[2-(2-chloroanilino)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide
CID 17447421

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[4-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[4-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]piperazin-1-yl]acetamide (CID 29161558) is N-(2-chlorophenyl)-2-[4-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[4-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[4-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]piperazin-1-yl]acetamide is O=C(CN1CCN(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)CC1)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-[4-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]piperazin-1-yl]acetamide?
The InChIKey is DCMMSZCJPFVEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl4N4O2/c21-13-9-15(23)20(16(24)10-13)26-19(30)12-28-7-5-27(6-8-28)11-18(29)25-17-4-2-1-3-14(17)22/h1-4,9-10H,5-8,11-12H2,(H,25,29)(H,26,30).
What are the key properties of N-(2-chlorophenyl)-2-[4-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]piperazin-1-yl]acetamide?
N-(2-chlorophenyl)-2-[4-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]piperazin-1-yl]acetamide has a molecular weight of 490.22 g/mol, XLogP of 4.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[4-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 29161558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).