2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

C20H20F4N3O2+ — CID 9429578

IUPAC2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(C[NH+]1CCN(C(=O)c2ccccc2F)CC1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C20H19F4N3O2/c21-16-7-3-1-5-14(16)19(29)27-11-9-26(10-12-27)13-18(28)25-17-8-4-2-6-15(17)20(22,23)24/h1-8H,9-13H2,(H,25,28)/p+1
InChIKeyKYDFIRWEBPTNCA-UHFFFAOYSA-O
MW410.39 g/mol
LogP1.82
Rot. Bonds4

About 2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 9429578) has the molecular formula C20H20F4N3O2+ and a molecular weight of 410.39 g/mol. Its IUPAC name is 2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID9429578
Molecular FormulaC20H20F4N3O2+
Molecular Weight410.39 g/mol
Exact Mass410.15
IUPAC Name2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(C[NH+]1CCN(C(=O)c2ccccc2F)CC1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C20H19F4N3O2/c21-16-7-3-1-5-14(16)19(29)27-11-9-26(10-12-27)13-18(28)25-17-8-4-2-6-15(17)20(22,23)24/h1-8H,9-13H2,(H,25,28)/p+1
InChIKeyKYDFIRWEBPTNCA-UHFFFAOYSA-O
XLogP1.82
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.39
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(pyrazine-2-carbonyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9429520
2-[4-[(2R)-5-oxopyrrolidine-2-carbonyl]piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9429582
2-[4-(cyclopentanecarbonyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9429538
N-(4-chlorophenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]acetamide
CID 5061478
2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-fluorophenyl)acetamide
CID 8904357
2-[4-(2,6-difluorobenzoyl)piperazin-1-ium-1-yl]-N-(2-fluorophenyl)acetamide
CID 5072019
2-piperazine-1,4-diium-1-yl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2576082
2-[4-(2-thiophen-3-ylacetyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9429532
2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9337573
2-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 27162104
N-(2-chlorophenyl)-2-[4-(naphthalene-1-carbonyl)piperazin-1-ium-1-yl]acetamide
CID 9020631
2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 4244464

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 9429578) is 2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is O=C(C[NH+]1CCN(C(=O)c2ccccc2F)CC1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is KYDFIRWEBPTNCA-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H19F4N3O2/c21-16-7-3-1-5-14(16)19(29)27-11-9-26(10-12-27)13-18(28)25-17-8-4-2-6-15(17)20(22,23)24/h1-8H,9-13H2,(H,25,28)/p+1.
What are the key properties of 2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 410.39 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 9429578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).