2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide

C18H21FN4O2 — CID 5410401

IUPAC2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide
SMILESC/C(=N\NC(=O)CN1CCN(c2ccc(F)cc2)CC1)c1ccco1
InChIInChI=1S/C18H21FN4O2/c1-14(17-3-2-12-25-17)20-21-18(24)13-22-8-10-23(11-9-22)16-6-4-15(19)5-7-16/h2-7,12H,8-11,13H2,1H3,(H,21,24)/b20-14+
InChIKeyPZHUFNATHFKOKK-XSFVSMFZSA-N
MW344.39 g/mol
LogP2.08
Rot. Bonds5

About 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide

2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide (PubChem CID 5410401) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide
PubChem CID5410401
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide
SMILESC/C(=N\NC(=O)CN1CCN(c2ccc(F)cc2)CC1)c1ccco1
InChIInChI=1S/C18H21FN4O2/c1-14(17-3-2-12-25-17)20-21-18(24)13-22-8-10-23(11-9-22)16-6-4-15(19)5-7-16/h2-7,12H,8-11,13H2,1H3,(H,21,24)/b20-14+
InChIKeyPZHUFNATHFKOKK-XSFVSMFZSA-N
XLogP2.08
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-Dimethyl-phenyl)-2-(3-furan-2-yl-6-oxo-6H-pyridazin-1-yl)-acetamide
CID 6485768
N-(2-Ethoxy-phenyl)-2-(3-furan-2-yl-6-oxo-6H-pyridazin-1-yl)-acetamide
CID 6500966
N-[(E,2E)-3-(2-furyl)-2-methyl-2-propenylidene]-4-phenyl-1-piperazinamine
CID 6880130
(1-Furan-2-yl-ethylidene)-(4-phenyl-piperazin-1-yl)-amine
CID 5344506
N-(4-bromophenyl)-2-(3-(furan-2-yl)-6-oxopyridazin-1(6H)-yl)acetamide
CID 7659444
N-[(1E,2Z)-3-(furan-2-yl)-2-methylprop-2-en-1-ylidene]-4-phenylpiperazin-1-amine
CID 9579635
(2E)-N-({N'-[(E)-[4-(Diethylamino)phenyl]methylidene]hydrazinecarbonyl}methyl)-3-(furan-2-YL)prop-2-enamide
CID 9667727
N-[3-(2-furyl)-2-propen-1-ylidene]-4-phenyl-1-piperazinamine
CID 5347628
N'-[(1Z,2E)-3-(2-furyl)-1-methylprop-2-enylidene]-2-[(2-methylphenyl)amino]acetohydrazide
CID 5814146
N-(4-acetylphenyl)-2-(3-(furan-2-yl)-6-oxopyridazin-1(6H)-yl)acetamide
CID 7447426
(2E)-N-({N'-[(E)-[4-(Dimethylamino)phenyl]methylidene]hydrazinecarbonyl}methyl)-3-(furan-2-YL)prop-2-enamide
CID 9670814
N'-[(1E,2E)-3-(2-furyl)-1-methylprop-2-enylidene]-2-[(3-methylphenyl)amino]acetohydrazide
CID 9692992

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide?
The IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide (CID 5410401) is 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide is C/C(=N\NC(=O)CN1CCN(c2ccc(F)cc2)CC1)c1ccco1.
What is the InChIKey of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide?
The InChIKey is PZHUFNATHFKOKK-XSFVSMFZSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-14(17-3-2-12-25-17)20-21-18(24)13-22-8-10-23(11-9-22)16-6-4-15(19)5-7-16/h2-7,12H,8-11,13H2,1H3,(H,21,24)/b20-14+.
What are the key properties of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide?
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide has a molecular weight of 344.39 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide is sourced from PubChem (CID 5410401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).