2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-nitrophenyl)acetamide

C18H19FN4O3 — CID 4160800

IUPAC2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-nitrophenyl)acetamide
SMILESO=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C18H19FN4O3/c19-14-5-7-15(8-6-14)22-11-9-21(10-12-22)13-18(24)20-16-3-1-2-4-17(16)23(25)26/h1-8H,9-13H2,(H,20,24)
InChIKeyYWUCZDXFXXGKNM-UHFFFAOYSA-N
MW358.37 g/mol
LogP2.49
Rot. Bonds5

About 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-nitrophenyl)acetamide

2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-nitrophenyl)acetamide (PubChem CID 4160800) has the molecular formula C18H19FN4O3 and a molecular weight of 358.37 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-nitrophenyl)acetamide
PubChem CID4160800
Molecular FormulaC18H19FN4O3
Molecular Weight358.37 g/mol
Exact Mass358.14
IUPAC Name2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-nitrophenyl)acetamide
SMILESO=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C18H19FN4O3/c19-14-5-7-15(8-6-14)22-11-9-21(10-12-22)13-18(24)20-16-3-1-2-4-17(16)23(25)26/h1-8H,9-13H2,(H,20,24)
InChIKeyYWUCZDXFXXGKNM-UHFFFAOYSA-N
XLogP2.49
TPSA78.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-nitrophenyl)acetamide?
The IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-nitrophenyl)acetamide (CID 4160800) is 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-nitrophenyl)acetamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-nitrophenyl)acetamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-nitrophenyl)acetamide is O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-nitrophenyl)acetamide?
The InChIKey is YWUCZDXFXXGKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O3/c19-14-5-7-15(8-6-14)22-11-9-21(10-12-22)13-18(24)20-16-3-1-2-4-17(16)23(25)26/h1-8H,9-13H2,(H,20,24).
What are the key properties of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-nitrophenyl)acetamide?
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-nitrophenyl)acetamide has a molecular weight of 358.37 g/mol, XLogP of 2.49, 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-(2-nitrophenyl)acetamide is sourced from PubChem (CID 4160800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).