2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide

C18H17Cl4N3O — CID 4238150

IUPAC2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
SMILESO=C(CN1CCN(c2cccc(Cl)c2)CC1)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C18H17Cl4N3O/c19-12-2-1-3-13(8-12)25-6-4-24(5-7-25)11-18(26)23-17-10-15(21)14(20)9-16(17)22/h1-3,8-10H,4-7,11H2,(H,23,26)
InChIKeyLKHFQQNLRSJFPP-UHFFFAOYSA-N
MW433.17 g/mol
LogP5.06
Rot. Bonds4

About 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide

2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide (PubChem CID 4238150) has the molecular formula C18H17Cl4N3O and a molecular weight of 433.17 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
PubChem CID4238150
Molecular FormulaC18H17Cl4N3O
Molecular Weight433.17 g/mol
Exact Mass431.01
IUPAC Name2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
SMILESO=C(CN1CCN(c2cccc(Cl)c2)CC1)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C18H17Cl4N3O/c19-12-2-1-3-13(8-12)25-6-4-24(5-7-25)11-18(26)23-17-10-15(21)14(20)9-16(17)22/h1-3,8-10H,4-7,11H2,(H,23,26)
InChIKeyLKHFQQNLRSJFPP-UHFFFAOYSA-N
XLogP5.06
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.17
LogP ≤ 55.06
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-(2,4,5-trichlorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 22199205
N-(5-chloro-2-fluorophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 8530050
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,5-difluorophenyl)acetamide
CID 3472016
N-(4-acetamidophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 2685330
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-phenylacetamide
CID 6467969
2-[4-(3-chlorophenyl)piperazin-1-yl]acetohydrazide
CID 12578869
methyl 2-[[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]benzoate
CID 8530313
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide
CID 2654914
N-(5-chloro-2-methylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 34731945
N-[2-[(2S)-butan-2-yl]phenyl]-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 8530293
ethyl 2-[[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]benzoate
CID 8530322
N-(2,5-dichlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 7949022

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide?
The IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide (CID 4238150) is 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide.
What is the SMILES notation for 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide?
The canonical SMILES for 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide is O=C(CN1CCN(c2cccc(Cl)c2)CC1)Nc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide?
The InChIKey is LKHFQQNLRSJFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl4N3O/c19-12-2-1-3-13(8-12)25-6-4-24(5-7-25)11-18(26)23-17-10-15(21)14(20)9-16(17)22/h1-3,8-10H,4-7,11H2,(H,23,26).
What are the key properties of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide?
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide has a molecular weight of 433.17 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide is sourced from PubChem (CID 4238150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).