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

C19H18F3N3O2 — CID 3238032

IUPAC2-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
SMILESO=C(CN1CCN(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)
InChIKeyQSVKZSCEJFNNOR-UHFFFAOYSA-N
MW377.37 g/mol
LogP2.50
Rot. Bonds4

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

2-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide (PubChem CID 3238032) has the molecular formula C19H18F3N3O2 and a molecular weight of 377.37 g/mol. Its IUPAC name is 2-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
PubChem CID3238032
Molecular FormulaC19H18F3N3O2
Molecular Weight377.37 g/mol
Exact Mass377.14
IUPAC Name2-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
SMILESO=C(CN1CCN(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)
InChIKeyQSVKZSCEJFNNOR-UHFFFAOYSA-N
XLogP2.50
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 15999180
2-[4-(2,6-difluorobenzoyl)piperazin-1-ium-1-yl]-N-(2-fluorophenyl)acetamide
CID 5072019
N-(2-fluorophenyl)-2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetamide
CID 78882336
2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 86850419
N-cyclopropyl-2-[4-[2-(2-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoacetamide
CID 78881404
N-(2-fluorophenyl)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 78898984
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 5019099
N-(2-fluorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 6466887
N-(2-fluorophenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide
CID 54923773
N-(2-fluorophenyl)-2-[4-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]acetamide
CID 126776600
2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(2-phenoxyphenyl)acetamide
CID 30704409
N-(2-chlorophenyl)-2-[4-(4-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 43017589

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide (CID 3238032) is 2-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide is O=C(CN1CCN(C(=O)c2c(F)cccc2F)CC1)Nc1ccccc1F.
What is the InChIKey of 2-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide?
The InChIKey is QSVKZSCEJFNNOR-UHFFFAOYSA-N. 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).
What are the key properties of 2-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide?
2-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide has a molecular weight of 377.37 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 3238032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).