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

C25H24ClN3O2 — CID 1048472

IUPACN-[2-(4-benzoylpiperazin-1-yl)phenyl]-2-(4-chlorophenyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C25H24ClN3O2/c26-21-12-10-19(11-13-21)18-24(30)27-22-8-4-5-9-23(22)28-14-16-29(17-15-28)25(31)20-6-2-1-3-7-20/h1-13H,14-18H2,(H,27,30)
InChIKeyLPZSSXVHIJVEQS-UHFFFAOYSA-N
MW433.94 g/mol
LogP4.48
Rot. Bonds5

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

N-[2-(4-benzoylpiperazin-1-yl)phenyl]-2-(4-chlorophenyl)acetamide (PubChem CID 1048472) has the molecular formula C25H24ClN3O2 and a molecular weight of 433.94 g/mol. Its IUPAC name is N-[2-(4-benzoylpiperazin-1-yl)phenyl]-2-(4-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(4-benzoylpiperazin-1-yl)phenyl]-2-(4-chlorophenyl)acetamide
PubChem CID1048472
Molecular FormulaC25H24ClN3O2
Molecular Weight433.94 g/mol
Exact Mass433.16
IUPAC NameN-[2-(4-benzoylpiperazin-1-yl)phenyl]-2-(4-chlorophenyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C25H24ClN3O2/c26-21-12-10-19(11-13-21)18-24(30)27-22-8-4-5-9-23(22)28-14-16-29(17-15-28)25(31)20-6-2-1-3-7-20/h1-13H,14-18H2,(H,27,30)
InChIKeyLPZSSXVHIJVEQS-UHFFFAOYSA-N
XLogP4.48
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.94
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzoylpiperazin-1-yl)phenyl]-2-(4-chlorophenyl)acetamide?
The IUPAC name of N-[2-(4-benzoylpiperazin-1-yl)phenyl]-2-(4-chlorophenyl)acetamide (CID 1048472) is N-[2-(4-benzoylpiperazin-1-yl)phenyl]-2-(4-chlorophenyl)acetamide.
What is the SMILES notation for N-[2-(4-benzoylpiperazin-1-yl)phenyl]-2-(4-chlorophenyl)acetamide?
The canonical SMILES for N-[2-(4-benzoylpiperazin-1-yl)phenyl]-2-(4-chlorophenyl)acetamide is O=C(Cc1ccc(Cl)cc1)Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of N-[2-(4-benzoylpiperazin-1-yl)phenyl]-2-(4-chlorophenyl)acetamide?
The InChIKey is LPZSSXVHIJVEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O2/c26-21-12-10-19(11-13-21)18-24(30)27-22-8-4-5-9-23(22)28-14-16-29(17-15-28)25(31)20-6-2-1-3-7-20/h1-13H,14-18H2,(H,27,30).
What are the key properties of N-[2-(4-benzoylpiperazin-1-yl)phenyl]-2-(4-chlorophenyl)acetamide?
N-[2-(4-benzoylpiperazin-1-yl)phenyl]-2-(4-chlorophenyl)acetamide has a molecular weight of 433.94 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzoylpiperazin-1-yl)phenyl]-2-(4-chlorophenyl)acetamide is sourced from PubChem (CID 1048472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).