N-[4-(4-benzylpiperazin-1-yl)-1-oxophthalazin-2-yl]-2-(4-chlorophenyl)acetamide

C27H26ClN5O2 — CID 70975827

IUPACN-[4-(4-benzylpiperazin-1-yl)-1-oxophthalazin-2-yl]-2-(4-chlorophenyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nn1nc(N2CCN(Cc3ccccc3)CC2)c2ccccc2c1=O
InChIInChI=1S/C27H26ClN5O2/c28-22-12-10-20(11-13-22)18-25(34)29-33-27(35)24-9-5-4-8-23(24)26(30-33)32-16-14-31(15-17-32)19-21-6-2-1-3-7-21/h1-13H,14-19H2,(H,29,34)
InChIKeyKBTORQAXJAENMV-UHFFFAOYSA-N
MW487.99 g/mol
LogP3.68
Rot. Bonds6

About N-[4-(4-benzylpiperazin-1-yl)-1-oxophthalazin-2-yl]-2-(4-chlorophenyl)acetamide

N-[4-(4-benzylpiperazin-1-yl)-1-oxophthalazin-2-yl]-2-(4-chlorophenyl)acetamide (PubChem CID 70975827) has the molecular formula C27H26ClN5O2 and a molecular weight of 487.99 g/mol. Its IUPAC name is N-[4-(4-benzylpiperazin-1-yl)-1-oxophthalazin-2-yl]-2-(4-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[4-(4-benzylpiperazin-1-yl)-1-oxophthalazin-2-yl]-2-(4-chlorophenyl)acetamide
PubChem CID70975827
Molecular FormulaC27H26ClN5O2
Molecular Weight487.99 g/mol
Exact Mass487.18
IUPAC NameN-[4-(4-benzylpiperazin-1-yl)-1-oxophthalazin-2-yl]-2-(4-chlorophenyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nn1nc(N2CCN(Cc3ccccc3)CC2)c2ccccc2c1=O
InChIInChI=1S/C27H26ClN5O2/c28-22-12-10-20(11-13-22)18-25(34)29-33-27(35)24-9-5-4-8-23(24)26(30-33)32-16-14-31(15-17-32)19-21-6-2-1-3-7-21/h1-13H,14-19H2,(H,29,34)
InChIKeyKBTORQAXJAENMV-UHFFFAOYSA-N
XLogP3.68
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.99
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-(4-benzylpiperazin-1-yl)-1-oxophthalazin-2-yl]-2-(4-chlorophenyl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-benzylpiperazin-1-yl)-1-oxophthalazin-2-yl]-2-(4-chlorophenyl)acetamide?
The IUPAC name of N-[4-(4-benzylpiperazin-1-yl)-1-oxophthalazin-2-yl]-2-(4-chlorophenyl)acetamide (CID 70975827) is N-[4-(4-benzylpiperazin-1-yl)-1-oxophthalazin-2-yl]-2-(4-chlorophenyl)acetamide.
What is the SMILES notation for N-[4-(4-benzylpiperazin-1-yl)-1-oxophthalazin-2-yl]-2-(4-chlorophenyl)acetamide?
The canonical SMILES for N-[4-(4-benzylpiperazin-1-yl)-1-oxophthalazin-2-yl]-2-(4-chlorophenyl)acetamide is O=C(Cc1ccc(Cl)cc1)Nn1nc(N2CCN(Cc3ccccc3)CC2)c2ccccc2c1=O.
What is the InChIKey of N-[4-(4-benzylpiperazin-1-yl)-1-oxophthalazin-2-yl]-2-(4-chlorophenyl)acetamide?
The InChIKey is KBTORQAXJAENMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClN5O2/c28-22-12-10-20(11-13-22)18-25(34)29-33-27(35)24-9-5-4-8-23(24)26(30-33)32-16-14-31(15-17-32)19-21-6-2-1-3-7-21/h1-13H,14-19H2,(H,29,34).
What are the key properties of N-[4-(4-benzylpiperazin-1-yl)-1-oxophthalazin-2-yl]-2-(4-chlorophenyl)acetamide?
N-[4-(4-benzylpiperazin-1-yl)-1-oxophthalazin-2-yl]-2-(4-chlorophenyl)acetamide has a molecular weight of 487.99 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-benzylpiperazin-1-yl)-1-oxophthalazin-2-yl]-2-(4-chlorophenyl)acetamide is sourced from PubChem (CID 70975827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).