2-[4-[2-fluoro-4-(1-hydroxyethyl)phenyl]piperazin-1-yl]-N-phenylacetamide

C20H24FN3O2 — CID 42883487

IUPAC2-[4-[2-fluoro-4-(1-hydroxyethyl)phenyl]piperazin-1-yl]-N-phenylacetamide
SMILESCC(O)c1ccc(N2CCN(CC(=O)Nc3ccccc3)CC2)c(F)c1
InChIInChI=1S/C20H24FN3O2/c1-15(25)16-7-8-19(18(21)13-16)24-11-9-23(10-12-24)14-20(26)22-17-5-3-2-4-6-17/h2-8,13,15,25H,9-12,14H2,1H3,(H,22,26)
InChIKeyXTNLFPVMVFRUSY-UHFFFAOYSA-N
MW357.43 g/mol
LogP2.64
Rot. Bonds5

About 2-[4-[2-fluoro-4-(1-hydroxyethyl)phenyl]piperazin-1-yl]-N-phenylacetamide

2-[4-[2-fluoro-4-(1-hydroxyethyl)phenyl]piperazin-1-yl]-N-phenylacetamide (PubChem CID 42883487) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is 2-[4-[2-fluoro-4-(1-hydroxyethyl)phenyl]piperazin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[2-fluoro-4-(1-hydroxyethyl)phenyl]piperazin-1-yl]-N-phenylacetamide
PubChem CID42883487
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC Name2-[4-[2-fluoro-4-(1-hydroxyethyl)phenyl]piperazin-1-yl]-N-phenylacetamide
SMILESCC(O)c1ccc(N2CCN(CC(=O)Nc3ccccc3)CC2)c(F)c1
InChIInChI=1S/C20H24FN3O2/c1-15(25)16-7-8-19(18(21)13-16)24-11-9-23(10-12-24)14-20(26)22-17-5-3-2-4-6-17/h2-8,13,15,25H,9-12,14H2,1H3,(H,22,26)
InChIKeyXTNLFPVMVFRUSY-UHFFFAOYSA-N
XLogP2.64
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-fluoro-4-(1-hydroxyethyl)phenyl]piperazin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-[2-fluoro-4-(1-hydroxyethyl)phenyl]piperazin-1-yl]-N-phenylacetamide (CID 42883487) is 2-[4-[2-fluoro-4-(1-hydroxyethyl)phenyl]piperazin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-[2-fluoro-4-(1-hydroxyethyl)phenyl]piperazin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-[2-fluoro-4-(1-hydroxyethyl)phenyl]piperazin-1-yl]-N-phenylacetamide is CC(O)c1ccc(N2CCN(CC(=O)Nc3ccccc3)CC2)c(F)c1.
What is the InChIKey of 2-[4-[2-fluoro-4-(1-hydroxyethyl)phenyl]piperazin-1-yl]-N-phenylacetamide?
The InChIKey is XTNLFPVMVFRUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-15(25)16-7-8-19(18(21)13-16)24-11-9-23(10-12-24)14-20(26)22-17-5-3-2-4-6-17/h2-8,13,15,25H,9-12,14H2,1H3,(H,22,26).
What are the key properties of 2-[4-[2-fluoro-4-(1-hydroxyethyl)phenyl]piperazin-1-yl]-N-phenylacetamide?
2-[4-[2-fluoro-4-(1-hydroxyethyl)phenyl]piperazin-1-yl]-N-phenylacetamide has a molecular weight of 357.43 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-fluoro-4-(1-hydroxyethyl)phenyl]piperazin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 42883487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).