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

C19H21Cl2N3O — CID 30857739

IUPAC2-(2,4-dichlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCN1CCN(c2ccc(NC(=O)Cc3ccc(Cl)cc3Cl)cc2)CC1
InChIInChI=1S/C19H21Cl2N3O/c1-23-8-10-24(11-9-23)17-6-4-16(5-7-17)22-19(25)12-14-2-3-15(20)13-18(14)21/h2-7,13H,8-12H2,1H3,(H,22,25)
InChIKeyCPIFRDPZODQSRZ-UHFFFAOYSA-N
MW378.30 g/mol
LogP3.93
Rot. Bonds4

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

2-(2,4-dichlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide (PubChem CID 30857739) has the molecular formula C19H21Cl2N3O and a molecular weight of 378.30 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
PubChem CID30857739
Molecular FormulaC19H21Cl2N3O
Molecular Weight378.30 g/mol
Exact Mass377.11
IUPAC Name2-(2,4-dichlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCN1CCN(c2ccc(NC(=O)Cc3ccc(Cl)cc3Cl)cc2)CC1
InChIInChI=1S/C19H21Cl2N3O/c1-23-8-10-24(11-9-23)17-6-4-16(5-7-17)22-19(25)12-14-2-3-15(20)13-18(14)21/h2-7,13H,8-12H2,1H3,(H,22,25)
InChIKeyCPIFRDPZODQSRZ-UHFFFAOYSA-N
XLogP3.93
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.30
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 2228389
2-(2,4-dichlorophenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]acetamide
CID 56559143
2-(2,5-dichlorophenyl)sulfanyl-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 30857693
1-[(2,4-dichlorophenyl)methyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]piperidine-4-carboxamide
CID 53284614
2-(2,4-dichlorophenyl)-N-(4-methylphenyl)acetamide
CID 2712173
1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 51945516
2-[(2,4-dichlorophenyl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592972
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110409810
2-(4-chloro-2-fluorophenyl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 100516600
2-hydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 83768240
N-(4-tert-butylphenyl)-2-(2,4-dichlorophenyl)acetamide
CID 7914224
5-chloro-2-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 26709129

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide (CID 30857739) is 2-(2,4-dichlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide is CN1CCN(c2ccc(NC(=O)Cc3ccc(Cl)cc3Cl)cc2)CC1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The InChIKey is CPIFRDPZODQSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O/c1-23-8-10-24(11-9-23)17-6-4-16(5-7-17)22-19(25)12-14-2-3-15(20)13-18(14)21/h2-7,13H,8-12H2,1H3,(H,22,25).
What are the key properties of 2-(2,4-dichlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
2-(2,4-dichlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide has a molecular weight of 378.30 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide is sourced from PubChem (CID 30857739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).