2-(4-fluorophenyl)-N-[4-(4-phenylpiperazin-1-yl)phenyl]acetamide

C24H24FN3O — CID 112983945

IUPAC2-(4-fluorophenyl)-N-[4-(4-phenylpiperazin-1-yl)phenyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1ccc(N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C24H24FN3O/c25-20-8-6-19(7-9-20)18-24(29)26-21-10-12-23(13-11-21)28-16-14-27(15-17-28)22-4-2-1-3-5-22/h1-13H,14-18H2,(H,26,29)
InChIKeySYQICKIFHTXGPS-UHFFFAOYSA-N
MW389.47 g/mol
LogP4.33
Rot. Bonds5

About 2-(4-fluorophenyl)-N-[4-(4-phenylpiperazin-1-yl)phenyl]acetamide

2-(4-fluorophenyl)-N-[4-(4-phenylpiperazin-1-yl)phenyl]acetamide (PubChem CID 112983945) has the molecular formula C24H24FN3O and a molecular weight of 389.47 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[4-(4-phenylpiperazin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[4-(4-phenylpiperazin-1-yl)phenyl]acetamide
PubChem CID112983945
Molecular FormulaC24H24FN3O
Molecular Weight389.47 g/mol
Exact Mass389.19
IUPAC Name2-(4-fluorophenyl)-N-[4-(4-phenylpiperazin-1-yl)phenyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1ccc(N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C24H24FN3O/c25-20-8-6-19(7-9-20)18-24(29)26-21-10-12-23(13-11-21)28-16-14-27(15-17-28)22-4-2-1-3-5-22/h1-13H,14-18H2,(H,26,29)
InChIKeySYQICKIFHTXGPS-UHFFFAOYSA-N
XLogP4.33
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-2-(4-fluorophenyl)acetamide
CID 110288057
N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-2-(4-fluorophenyl)acetamide
CID 112502808
N-[4-(azepan-1-yl)phenyl]-2-phenylacetamide
CID 16620353
4-fluoro-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide
CID 112983940
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-phenylacetamide
CID 969221
2-(4-fluorophenyl)-N-[4-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]phenyl]acetamide
CID 1057942
N-(4-fluorophenyl)-2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]acetamide
CID 2697480
2-(2-methylphenyl)-N-[4-(4-phenylpiperazin-1-yl)phenyl]acetamide
CID 112983952
N-[4-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]phenyl]acetamide
CID 5041262
2-(4-chlorophenyl)-N-[4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]acetamide
CID 17118263
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110409810
2-[4-[(4-fluorophenyl)methylamino]phenyl]-N-phenylacetamide
CID 42852473

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[4-(4-phenylpiperazin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[4-(4-phenylpiperazin-1-yl)phenyl]acetamide (CID 112983945) is 2-(4-fluorophenyl)-N-[4-(4-phenylpiperazin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[4-(4-phenylpiperazin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[4-(4-phenylpiperazin-1-yl)phenyl]acetamide is O=C(Cc1ccc(F)cc1)Nc1ccc(N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[4-(4-phenylpiperazin-1-yl)phenyl]acetamide?
The InChIKey is SYQICKIFHTXGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O/c25-20-8-6-19(7-9-20)18-24(29)26-21-10-12-23(13-11-21)28-16-14-27(15-17-28)22-4-2-1-3-5-22/h1-13H,14-18H2,(H,26,29).
What are the key properties of 2-(4-fluorophenyl)-N-[4-(4-phenylpiperazin-1-yl)phenyl]acetamide?
2-(4-fluorophenyl)-N-[4-(4-phenylpiperazin-1-yl)phenyl]acetamide has a molecular weight of 389.47 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[4-(4-phenylpiperazin-1-yl)phenyl]acetamide is sourced from PubChem (CID 112983945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).