N-(2-benzoylphenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]acetamide

C27H26FN3O3 — CID 55682168

IUPACN-(2-benzoylphenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)Cc2ccc(F)cc2)CC1)Nc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C27H26FN3O3/c28-22-12-10-20(11-13-22)18-26(33)31-16-14-30(15-17-31)19-25(32)29-24-9-5-4-8-23(24)27(34)21-6-2-1-3-7-21/h1-13H,14-19H2,(H,29,32)
InChIKeyYFEICCCVLLACCT-UHFFFAOYSA-N
MW459.52 g/mol
LogP3.38
Rot. Bonds7

About N-(2-benzoylphenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]acetamide

N-(2-benzoylphenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]acetamide (PubChem CID 55682168) has the molecular formula C27H26FN3O3 and a molecular weight of 459.52 g/mol. Its IUPAC name is N-(2-benzoylphenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-benzoylphenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]acetamide
PubChem CID55682168
Molecular FormulaC27H26FN3O3
Molecular Weight459.52 g/mol
Exact Mass459.20
IUPAC NameN-(2-benzoylphenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)Cc2ccc(F)cc2)CC1)Nc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C27H26FN3O3/c28-22-12-10-20(11-13-22)18-26(33)31-16-14-30(15-17-31)19-25(32)29-24-9-5-4-8-23(24)27(34)21-6-2-1-3-7-21/h1-13H,14-19H2,(H,29,32)
InChIKeyYFEICCCVLLACCT-UHFFFAOYSA-N
XLogP3.38
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.52
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-benzoylphenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[2-(2-benzoylanilino)-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide
CID 34791543
2-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetyl]amino]benzamide
CID 36877900
N-(2,6-diethylphenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]acetamide
CID 37404084
N-(3-fluorophenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]acetamide
CID 9020103
2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-(2-methyl-3-nitrophenyl)acetamide
CID 37404298
N-carbamoyl-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]acetamide
CID 37404315
2-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetyl]amino]-N-(4-fluorophenyl)benzamide
CID 36876914
2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9224136
N-(2-chlorophenyl)-2-[4-[3-(4-fluorophenyl)propanoyl]piperazin-1-yl]acetamide
CID 8749055
1-(4-benzylpiperazin-1-yl)-2-(4-fluorophenyl)ethanone
CID 21241521
2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-phenylacetamide
CID 31150970
N-(2-ethyl-6-methylphenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]acetamide
CID 37404317

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoylphenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2-benzoylphenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]acetamide (CID 55682168) is N-(2-benzoylphenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-benzoylphenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-benzoylphenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]acetamide is O=C(CN1CCN(C(=O)Cc2ccc(F)cc2)CC1)Nc1ccccc1C(=O)c1ccccc1.
What is the InChIKey of N-(2-benzoylphenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]acetamide?
The InChIKey is YFEICCCVLLACCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN3O3/c28-22-12-10-20(11-13-22)18-26(33)31-16-14-30(15-17-31)19-25(32)29-24-9-5-4-8-23(24)27(34)21-6-2-1-3-7-21/h1-13H,14-19H2,(H,29,32).
What are the key properties of N-(2-benzoylphenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]acetamide?
N-(2-benzoylphenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]acetamide has a molecular weight of 459.52 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoylphenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 55682168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).