2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(2,5-difluorophenyl)acetamide

C20H20F3N3O2 — CID 34915411

IUPAC2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(2,5-difluorophenyl)acetamide
SMILESCC(=O)c1ccc(N2CCN(CC(=O)Nc3cc(F)ccc3F)CC2)c(F)c1
InChIInChI=1S/C20H20F3N3O2/c1-13(27)14-2-5-19(17(23)10-14)26-8-6-25(7-9-26)12-20(28)24-18-11-15(21)3-4-16(18)22/h2-5,10-11H,6-9,12H2,1H3,(H,24,28)
InChIKeyISNINNMARQOBOH-UHFFFAOYSA-N
MW391.39 g/mol
LogP3.07
Rot. Bonds5

About 2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(2,5-difluorophenyl)acetamide

2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(2,5-difluorophenyl)acetamide (PubChem CID 34915411) has the molecular formula C20H20F3N3O2 and a molecular weight of 391.39 g/mol. Its IUPAC name is 2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(2,5-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(2,5-difluorophenyl)acetamide
PubChem CID34915411
Molecular FormulaC20H20F3N3O2
Molecular Weight391.39 g/mol
Exact Mass391.15
IUPAC Name2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(2,5-difluorophenyl)acetamide
SMILESCC(=O)c1ccc(N2CCN(CC(=O)Nc3cc(F)ccc3F)CC2)c(F)c1
InChIInChI=1S/C20H20F3N3O2/c1-13(27)14-2-5-19(17(23)10-14)26-8-6-25(7-9-26)12-20(28)24-18-11-15(21)3-4-16(18)22/h2-5,10-11H,6-9,12H2,1H3,(H,24,28)
InChIKeyISNINNMARQOBOH-UHFFFAOYSA-N
XLogP3.07
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(3-chloro-2-methylphenyl)acetamide
CID 34915311
2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 26382499
2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 26383061
2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(ethylcarbamoyl)acetamide
CID 26383070
2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 34193850
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(2-chloro-4-fluorophenyl)acetamide
CID 8591691
N-(2,5-difluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 60642566
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,5-difluorophenyl)acetamide
CID 3472016
N-(4-acetylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 171668840
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(2,5-difluorophenyl)acetamide
CID 30725889
2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 36856314
N-(2,5-difluorophenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 63267293

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(2,5-difluorophenyl)acetamide?
The IUPAC name of 2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(2,5-difluorophenyl)acetamide (CID 34915411) is 2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(2,5-difluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(2,5-difluorophenyl)acetamide?
The canonical SMILES for 2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(2,5-difluorophenyl)acetamide is CC(=O)c1ccc(N2CCN(CC(=O)Nc3cc(F)ccc3F)CC2)c(F)c1.
What is the InChIKey of 2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(2,5-difluorophenyl)acetamide?
The InChIKey is ISNINNMARQOBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O2/c1-13(27)14-2-5-19(17(23)10-14)26-8-6-25(7-9-26)12-20(28)24-18-11-15(21)3-4-16(18)22/h2-5,10-11H,6-9,12H2,1H3,(H,24,28).
What are the key properties of 2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(2,5-difluorophenyl)acetamide?
2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(2,5-difluorophenyl)acetamide has a molecular weight of 391.39 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(2,5-difluorophenyl)acetamide is sourced from PubChem (CID 34915411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).