2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N,2-diphenylacetamide

C26H26FN3O2 — CID 55470526

IUPAC2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N,2-diphenylacetamide
SMILESCC(=O)c1ccc(N2CCN(C(C(=O)Nc3ccccc3)c3ccccc3)CC2)c(F)c1
InChIInChI=1S/C26H26FN3O2/c1-19(31)21-12-13-24(23(27)18-21)29-14-16-30(17-15-29)25(20-8-4-2-5-9-20)26(32)28-22-10-6-3-7-11-22/h2-13,18,25H,14-17H2,1H3,(H,28,32)
InChIKeyKJICTYRGJZDRLP-UHFFFAOYSA-N
MW431.51 g/mol
LogP4.53
Rot. Bonds6

About 2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N,2-diphenylacetamide

2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N,2-diphenylacetamide (PubChem CID 55470526) has the molecular formula C26H26FN3O2 and a molecular weight of 431.51 g/mol. Its IUPAC name is 2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N,2-diphenylacetamide.

Molecular Properties

Compound Name2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N,2-diphenylacetamide
PubChem CID55470526
Molecular FormulaC26H26FN3O2
Molecular Weight431.51 g/mol
Exact Mass431.20
IUPAC Name2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N,2-diphenylacetamide
SMILESCC(=O)c1ccc(N2CCN(C(C(=O)Nc3ccccc3)c3ccccc3)CC2)c(F)c1
InChIInChI=1S/C26H26FN3O2/c1-19(31)21-12-13-24(23(27)18-21)29-14-16-30(17-15-29)25(20-8-4-2-5-9-20)26(32)28-22-10-6-3-7-11-22/h2-13,18,25H,14-17H2,1H3,(H,28,32)
InChIKeyKJICTYRGJZDRLP-UHFFFAOYSA-N
XLogP4.53
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-2-[4-(4-acetylphenyl)piperazin-1-yl]-2-phenylacetamide
CID 55351073
(2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide
CID 32701204
N-(3-acetylphenyl)-2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-2-phenylacetamide
CID 55841686
1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-anilinoethanone;dihydrochloride
CID 119836972
1-[3-fluoro-4-[4-(2-nitrophenyl)piperazin-1-yl]phenyl]ethanone
CID 26447855
N-(3-acetylphenyl)-2-phenyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
CID 55469591
methyl 2-[4-[4-(2-ethylhexanoylamino)-2-fluorophenyl]piperazin-1-yl]-2-phenylacetate
CID 58870710
methyl 2-[4-[4-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonylamino)-2-fluorophenyl]piperazin-1-yl]-2-phenylacetate
CID 58870692
1-(2-anilino-2-oxo-1-phenylethyl)piperidine-4-carboxylic acid;hydrochloride
CID 119907322
N-(4-fluorophenyl)-2-phenyl-2-(4-pyridin-4-ylpiperazin-1-yl)acetamide
CID 53384111
(2R)-N-carbamoyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenylacetamide
CID 25346781
2-phenyl-2-(4-phenylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 42911831

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N,2-diphenylacetamide?
The IUPAC name of 2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N,2-diphenylacetamide (CID 55470526) is 2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N,2-diphenylacetamide.
What is the SMILES notation for 2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N,2-diphenylacetamide?
The canonical SMILES for 2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N,2-diphenylacetamide is CC(=O)c1ccc(N2CCN(C(C(=O)Nc3ccccc3)c3ccccc3)CC2)c(F)c1.
What is the InChIKey of 2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N,2-diphenylacetamide?
The InChIKey is KJICTYRGJZDRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3O2/c1-19(31)21-12-13-24(23(27)18-21)29-14-16-30(17-15-29)25(20-8-4-2-5-9-20)26(32)28-22-10-6-3-7-11-22/h2-13,18,25H,14-17H2,1H3,(H,28,32).
What are the key properties of 2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N,2-diphenylacetamide?
2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N,2-diphenylacetamide has a molecular weight of 431.51 g/mol, XLogP of 4.53, 6 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-diphenylacetamide is sourced from PubChem (CID 55470526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).