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

C19H21Cl2N3O2 — CID 662966

IUPAC2-(2,4-dichlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCN1CCN(c2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2)CC1
InChIInChI=1S/C19H21Cl2N3O2/c1-23-8-10-24(11-9-23)16-5-3-15(4-6-16)22-19(25)13-26-18-7-2-14(20)12-17(18)21/h2-7,12H,8-11,13H2,1H3,(H,22,25)
InChIKeyOILQRYVUKMDUKO-UHFFFAOYSA-N
MW394.30 g/mol
LogP3.76
Rot. Bonds5

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

2-(2,4-dichlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide (PubChem CID 662966) has the molecular formula C19H21Cl2N3O2 and a molecular weight of 394.30 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
PubChem CID662966
Molecular FormulaC19H21Cl2N3O2
Molecular Weight394.30 g/mol
Exact Mass393.10
IUPAC Name2-(2,4-dichlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCN1CCN(c2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2)CC1
InChIInChI=1S/C19H21Cl2N3O2/c1-23-8-10-24(11-9-23)16-5-3-15(4-6-16)22-19(25)13-26-18-7-2-14(20)12-17(18)21/h2-7,12H,8-11,13H2,1H3,(H,22,25)
InChIKeyOILQRYVUKMDUKO-UHFFFAOYSA-N
XLogP3.76
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.30
LogP ≤ 53.76
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 2-(2,4-dichlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide (CID 662966) is 2-(2,4-dichlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide is CN1CCN(c2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2)CC1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The InChIKey is OILQRYVUKMDUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O2/c1-23-8-10-24(11-9-23)16-5-3-15(4-6-16)22-19(25)13-26-18-7-2-14(20)12-17(18)21/h2-7,12H,8-11,13H2,1H3,(H,22,25).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
2-(2,4-dichlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide has a molecular weight of 394.30 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide is sourced from PubChem (CID 662966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).