2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide

C17H16Cl3N3O3 — CID 5205501

IUPAC2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
SMILESO=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C17H16Cl3N3O3/c18-11-8-13(20)14(9-12(11)19)21-16(24)10-22-3-5-23(6-4-22)17(25)15-2-1-7-26-15/h1-2,7-9H,3-6,10H2,(H,21,24)
InChIKeyATGBFYOJPLTTIL-UHFFFAOYSA-N
MW416.69 g/mol
LogP3.64
Rot. Bonds4

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

2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide (PubChem CID 5205501) has the molecular formula C17H16Cl3N3O3 and a molecular weight of 416.69 g/mol. Its IUPAC name is 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
PubChem CID5205501
Molecular FormulaC17H16Cl3N3O3
Molecular Weight416.69 g/mol
Exact Mass415.03
IUPAC Name2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
SMILESO=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C17H16Cl3N3O3/c18-11-8-13(20)14(9-12(11)19)21-16(24)10-22-3-5-23(6-4-22)17(25)15-2-1-7-26-15/h1-2,7-9H,3-6,10H2,(H,21,24)
InChIKeyATGBFYOJPLTTIL-UHFFFAOYSA-N
XLogP3.64
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.69
LogP ≤ 53.64
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-(4-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 6470859
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 773151
N-(2-fluoro-4-methylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 8932787
N-(2,4-dichlorophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 109030220
1-(furan-2-carbonyl)-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide
CID 17081680
N-(3-chloro-4-cyanophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 3539401
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 8932674
dimethyl 2-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]benzene-1,4-dicarboxylate
CID 2414666
N'-acetyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetohydrazide
CID 8548952
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2-methyl-4-nitrophenyl)acetamide
CID 8932775
N-tert-butyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 26495641
1-(4-benzylpiperazin-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 37377595

Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide?
The IUPAC name of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide (CID 5205501) is 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide.
What is the SMILES notation for 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide?
The canonical SMILES for 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide is O=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide?
The InChIKey is ATGBFYOJPLTTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl3N3O3/c18-11-8-13(20)14(9-12(11)19)21-16(24)10-22-3-5-23(6-4-22)17(25)15-2-1-7-26-15/h1-2,7-9H,3-6,10H2,(H,21,24).
What are the key properties of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide?
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide has a molecular weight of 416.69 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide is sourced from PubChem (CID 5205501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).