2-[4-(2,6-difluorobenzoyl)piperazin-1-ium-1-yl]-N-(2-fluorophenyl)acetamide

C19H19F3N3O2+ — CID 5072019

IUPAC2-[4-(2,6-difluorobenzoyl)piperazin-1-ium-1-yl]-N-(2-fluorophenyl)acetamide
SMILESO=C(C[NH+]1CCN(C(=O)c2c(F)cccc2F)CC1)Nc1ccccc1F
InChIInChI=1S/C19H18F3N3O2/c20-13-4-1-2-7-16(13)23-17(26)12-24-8-10-25(11-9-24)19(27)18-14(21)5-3-6-15(18)22/h1-7H,8-12H2,(H,23,26)/p+1
InChIKeyQSVKZSCEJFNNOR-UHFFFAOYSA-O
MW378.37 g/mol
LogP1.08
Rot. Bonds4

About 2-[4-(2,6-difluorobenzoyl)piperazin-1-ium-1-yl]-N-(2-fluorophenyl)acetamide

2-[4-(2,6-difluorobenzoyl)piperazin-1-ium-1-yl]-N-(2-fluorophenyl)acetamide (PubChem CID 5072019) has the molecular formula C19H19F3N3O2+ and a molecular weight of 378.37 g/mol. Its IUPAC name is 2-[4-(2,6-difluorobenzoyl)piperazin-1-ium-1-yl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(2,6-difluorobenzoyl)piperazin-1-ium-1-yl]-N-(2-fluorophenyl)acetamide
PubChem CID5072019
Molecular FormulaC19H19F3N3O2+
Molecular Weight378.37 g/mol
Exact Mass378.14
IUPAC Name2-[4-(2,6-difluorobenzoyl)piperazin-1-ium-1-yl]-N-(2-fluorophenyl)acetamide
SMILESO=C(C[NH+]1CCN(C(=O)c2c(F)cccc2F)CC1)Nc1ccccc1F
InChIInChI=1S/C19H18F3N3O2/c20-13-4-1-2-7-16(13)23-17(26)12-24-8-10-25(11-9-24)19(27)18-14(21)5-3-6-15(18)22/h1-7H,8-12H2,(H,23,26)/p+1
InChIKeyQSVKZSCEJFNNOR-UHFFFAOYSA-O
XLogP1.08
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.37
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-fluorophenyl)acetamide
CID 8904357
2-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 3238032
2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(2-fluorophenyl)carbamoyl]acetamide
CID 9223401
2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9429578
2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(2-fluorophenyl)acetamide
CID 9435761
(2,6-difluorophenyl)-(4-ethylpiperazin-4-ium-1-yl)methanone
CID 7285657
N-(2-bromophenyl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetamide
CID 2064231
N-(4-chlorophenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]acetamide
CID 5061478
N-(2-chlorophenyl)-2-[4-(naphthalene-1-carbonyl)piperazin-1-ium-1-yl]acetamide
CID 9020631
N-(2-fluorophenyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
CID 9393672
N-(2-fluorophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]acetamide
CID 6263004
N-(2,4-difluorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide
CID 3688257

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,6-difluorobenzoyl)piperazin-1-ium-1-yl]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[4-(2,6-difluorobenzoyl)piperazin-1-ium-1-yl]-N-(2-fluorophenyl)acetamide (CID 5072019) is 2-[4-(2,6-difluorobenzoyl)piperazin-1-ium-1-yl]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(2,6-difluorobenzoyl)piperazin-1-ium-1-yl]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-(2,6-difluorobenzoyl)piperazin-1-ium-1-yl]-N-(2-fluorophenyl)acetamide is O=C(C[NH+]1CCN(C(=O)c2c(F)cccc2F)CC1)Nc1ccccc1F.
What is the InChIKey of 2-[4-(2,6-difluorobenzoyl)piperazin-1-ium-1-yl]-N-(2-fluorophenyl)acetamide?
The InChIKey is QSVKZSCEJFNNOR-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H18F3N3O2/c20-13-4-1-2-7-16(13)23-17(26)12-24-8-10-25(11-9-24)19(27)18-14(21)5-3-6-15(18)22/h1-7H,8-12H2,(H,23,26)/p+1.
What are the key properties of 2-[4-(2,6-difluorobenzoyl)piperazin-1-ium-1-yl]-N-(2-fluorophenyl)acetamide?
2-[4-(2,6-difluorobenzoyl)piperazin-1-ium-1-yl]-N-(2-fluorophenyl)acetamide has a molecular weight of 378.37 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,6-difluorobenzoyl)piperazin-1-ium-1-yl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 5072019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).