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

C19H22ClN3O2 — CID 1086059

IUPAC2-(2-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCN1CCN(c2ccc(NC(=O)COc3ccccc3Cl)cc2)CC1
InChIInChI=1S/C19H22ClN3O2/c1-22-10-12-23(13-11-22)16-8-6-15(7-9-16)21-19(24)14-25-18-5-3-2-4-17(18)20/h2-9H,10-14H2,1H3,(H,21,24)
InChIKeyZNEBYBSYGGCXTQ-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.11
Rot. Bonds5

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

2-(2-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide (PubChem CID 1086059) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
PubChem CID1086059
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name2-(2-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCN1CCN(c2ccc(NC(=O)COc3ccccc3Cl)cc2)CC1
InChIInChI=1S/C19H22ClN3O2/c1-22-10-12-23(13-11-22)16-8-6-15(7-9-16)21-19(24)14-25-18-5-3-2-4-17(18)20/h2-9H,10-14H2,1H3,(H,21,24)
InChIKeyZNEBYBSYGGCXTQ-UHFFFAOYSA-N
XLogP3.11
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]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 2-(2-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide (CID 1086059) is 2-(2-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide is CN1CCN(c2ccc(NC(=O)COc3ccccc3Cl)cc2)CC1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The InChIKey is ZNEBYBSYGGCXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-22-10-12-23(13-11-22)16-8-6-15(7-9-16)21-19(24)14-25-18-5-3-2-4-17(18)20/h2-9H,10-14H2,1H3,(H,21,24).
What are the key properties of 2-(2-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
2-(2-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide has a molecular weight of 359.86 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide is sourced from PubChem (CID 1086059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).