2-(4-chloro-3-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide

C20H24ClN3O2 — CID 1490997

IUPAC2-(4-chloro-3-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCc1cc(OCC(=O)Nc2ccc(N3CCN(C)CC3)cc2)ccc1Cl
InChIInChI=1S/C20H24ClN3O2/c1-15-13-18(7-8-19(15)21)26-14-20(25)22-16-3-5-17(6-4-16)24-11-9-23(2)10-12-24/h3-8,13H,9-12,14H2,1-2H3,(H,22,25)
InChIKeyZFIROQHNRAZREU-UHFFFAOYSA-N
MW373.88 g/mol
LogP3.42
Rot. Bonds5

About 2-(4-chloro-3-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide

2-(4-chloro-3-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide (PubChem CID 1490997) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
PubChem CID1490997
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCc1cc(OCC(=O)Nc2ccc(N3CCN(C)CC3)cc2)ccc1Cl
InChIInChI=1S/C20H24ClN3O2/c1-15-13-18(7-8-19(15)21)26-14-20(25)22-16-3-5-17(6-4-16)24-11-9-23(2)10-12-24/h3-8,13H,9-12,14H2,1-2H3,(H,22,25)
InChIKeyZFIROQHNRAZREU-UHFFFAOYSA-N
XLogP3.42
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 53.42
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-(4-chloro-3-methylphenoxy)-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-(4-chloro-3-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide (CID 1490997) is 2-(4-chloro-3-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide is Cc1cc(OCC(=O)Nc2ccc(N3CCN(C)CC3)cc2)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The InChIKey is ZFIROQHNRAZREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c1-15-13-18(7-8-19(15)21)26-14-20(25)22-16-3-5-17(6-4-16)24-11-9-23(2)10-12-24/h3-8,13H,9-12,14H2,1-2H3,(H,22,25).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
2-(4-chloro-3-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide has a molecular weight of 373.88 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide is sourced from PubChem (CID 1490997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).