N-[4-(4-benzoylpiperazin-1-yl)phenyl]-2-(2-chlorophenoxy)acetamide

C25H24ClN3O3 — CID 1016284

IUPACN-[4-(4-benzoylpiperazin-1-yl)phenyl]-2-(2-chlorophenoxy)acetamide
SMILESO=C(COc1ccccc1Cl)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C25H24ClN3O3/c26-22-8-4-5-9-23(22)32-18-24(30)27-20-10-12-21(13-11-20)28-14-16-29(17-15-28)25(31)19-6-2-1-3-7-19/h1-13H,14-18H2,(H,27,30)
InChIKeyHUCFCNNWKPUVBP-UHFFFAOYSA-N
MW449.94 g/mol
LogP4.32
Rot. Bonds6

About N-[4-(4-benzoylpiperazin-1-yl)phenyl]-2-(2-chlorophenoxy)acetamide

N-[4-(4-benzoylpiperazin-1-yl)phenyl]-2-(2-chlorophenoxy)acetamide (PubChem CID 1016284) has the molecular formula C25H24ClN3O3 and a molecular weight of 449.94 g/mol. Its IUPAC name is N-[4-(4-benzoylpiperazin-1-yl)phenyl]-2-(2-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(4-benzoylpiperazin-1-yl)phenyl]-2-(2-chlorophenoxy)acetamide
PubChem CID1016284
Molecular FormulaC25H24ClN3O3
Molecular Weight449.94 g/mol
Exact Mass449.15
IUPAC NameN-[4-(4-benzoylpiperazin-1-yl)phenyl]-2-(2-chlorophenoxy)acetamide
SMILESO=C(COc1ccccc1Cl)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C25H24ClN3O3/c26-22-8-4-5-9-23(22)32-18-24(30)27-20-10-12-21(13-11-20)28-14-16-29(17-15-28)25(31)19-6-2-1-3-7-19/h1-13H,14-18H2,(H,27,30)
InChIKeyHUCFCNNWKPUVBP-UHFFFAOYSA-N
XLogP4.32
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.94
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-benzoylpiperazin-1-yl)phenyl]-2-(2-chlorophenoxy)acetamide?
The IUPAC name of N-[4-(4-benzoylpiperazin-1-yl)phenyl]-2-(2-chlorophenoxy)acetamide (CID 1016284) is N-[4-(4-benzoylpiperazin-1-yl)phenyl]-2-(2-chlorophenoxy)acetamide.
What is the SMILES notation for N-[4-(4-benzoylpiperazin-1-yl)phenyl]-2-(2-chlorophenoxy)acetamide?
The canonical SMILES for N-[4-(4-benzoylpiperazin-1-yl)phenyl]-2-(2-chlorophenoxy)acetamide is O=C(COc1ccccc1Cl)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1.
What is the InChIKey of N-[4-(4-benzoylpiperazin-1-yl)phenyl]-2-(2-chlorophenoxy)acetamide?
The InChIKey is HUCFCNNWKPUVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O3/c26-22-8-4-5-9-23(22)32-18-24(30)27-20-10-12-21(13-11-20)28-14-16-29(17-15-28)25(31)19-6-2-1-3-7-19/h1-13H,14-18H2,(H,27,30).
What are the key properties of N-[4-(4-benzoylpiperazin-1-yl)phenyl]-2-(2-chlorophenoxy)acetamide?
N-[4-(4-benzoylpiperazin-1-yl)phenyl]-2-(2-chlorophenoxy)acetamide has a molecular weight of 449.94 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-benzoylpiperazin-1-yl)phenyl]-2-(2-chlorophenoxy)acetamide is sourced from PubChem (CID 1016284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).