2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-(3-nitrophenyl)acetamide

C18H20FN4O3+ — CID 6978066

IUPAC2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-(3-nitrophenyl)acetamide
SMILESO=C(C[NH+]1CCN(c2ccccc2F)CC1)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H19FN4O3/c19-16-6-1-2-7-17(16)22-10-8-21(9-11-22)13-18(24)20-14-4-3-5-15(12-14)23(25)26/h1-7,12H,8-11,13H2,(H,20,24)/p+1
InChIKeyHZXWIUKBVNWHOE-UHFFFAOYSA-O
MW359.38 g/mol
LogP1.08
Rot. Bonds5

About 2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-(3-nitrophenyl)acetamide

2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-(3-nitrophenyl)acetamide (PubChem CID 6978066) has the molecular formula C18H20FN4O3+ and a molecular weight of 359.38 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-(3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-(3-nitrophenyl)acetamide
PubChem CID6978066
Molecular FormulaC18H20FN4O3+
Molecular Weight359.38 g/mol
Exact Mass359.15
IUPAC Name2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-(3-nitrophenyl)acetamide
SMILESO=C(C[NH+]1CCN(c2ccccc2F)CC1)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H19FN4O3/c19-16-6-1-2-7-17(16)22-10-8-21(9-11-22)13-18(24)20-14-4-3-5-15(12-14)23(25)26/h1-7,12H,8-11,13H2,(H,20,24)/p+1
InChIKeyHZXWIUKBVNWHOE-UHFFFAOYSA-O
XLogP1.08
TPSA79.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

N-(3-bromophenyl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetamide
CID 2117154
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-nitrophenyl)-2-oxoacetamide
CID 45001002
2-[4-(4-chloro-2-nitrophenyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide
CID 9338213
2-morpholin-4-ium-4-yl-N-(3-nitrophenyl)acetamide
CID 3575843
N-(3-chloro-4-cyanophenyl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetamide
CID 2086316
2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-phenylacetamide
CID 8590885
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-N'-(3-nitrophenyl)oxamide
CID 42390084
N-(4-chloro-2-fluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetamide
CID 2654092
N-(3,4-difluorophenyl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]acetamide
CID 8726037
2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 2539642
N-(3-chlorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propanamide
CID 7027960
2-[4-(2-methylphenyl)piperazin-1-yl]-N-(3-nitrophenyl)acetamide
CID 8726302

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-(3-nitrophenyl)acetamide?
The IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-(3-nitrophenyl)acetamide (CID 6978066) is 2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-(3-nitrophenyl)acetamide.
What is the SMILES notation for 2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-(3-nitrophenyl)acetamide?
The canonical SMILES for 2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-(3-nitrophenyl)acetamide is O=C(C[NH+]1CCN(c2ccccc2F)CC1)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-(3-nitrophenyl)acetamide?
The InChIKey is HZXWIUKBVNWHOE-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H19FN4O3/c19-16-6-1-2-7-17(16)22-10-8-21(9-11-22)13-18(24)20-14-4-3-5-15(12-14)23(25)26/h1-7,12H,8-11,13H2,(H,20,24)/p+1.
What are the key properties of 2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-(3-nitrophenyl)acetamide?
2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-(3-nitrophenyl)acetamide has a molecular weight of 359.38 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-(3-nitrophenyl)acetamide is sourced from PubChem (CID 6978066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).