2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(3,4-dichlorophenyl)methylideneamino]acetamide

C20H21Cl3N4O — CID 1383029

IUPAC2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(3,4-dichlorophenyl)methylideneamino]acetamide
SMILESO=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)NN=Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H21Cl3N4O/c21-17-4-1-15(2-5-17)13-26-7-9-27(10-8-26)14-20(28)25-24-12-16-3-6-18(22)19(23)11-16/h1-6,11-12H,7-10,13-14H2,(H,25,28)
InChIKeyUBXXMIUAJQBQHE-UHFFFAOYSA-N
MW439.77 g/mol
LogP3.91
Rot. Bonds6

About 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(3,4-dichlorophenyl)methylideneamino]acetamide

2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(3,4-dichlorophenyl)methylideneamino]acetamide (PubChem CID 1383029) has the molecular formula C20H21Cl3N4O and a molecular weight of 439.77 g/mol. Its IUPAC name is 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(3,4-dichlorophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(3,4-dichlorophenyl)methylideneamino]acetamide
PubChem CID1383029
Molecular FormulaC20H21Cl3N4O
Molecular Weight439.77 g/mol
Exact Mass438.08
IUPAC Name2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(3,4-dichlorophenyl)methylideneamino]acetamide
SMILESO=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)NN=Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H21Cl3N4O/c21-17-4-1-15(2-5-17)13-26-7-9-27(10-8-26)14-20(28)25-24-12-16-3-6-18(22)19(23)11-16/h1-6,11-12H,7-10,13-14H2,(H,25,28)
InChIKeyUBXXMIUAJQBQHE-UHFFFAOYSA-N
XLogP3.91
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.77
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(3,4-dichlorophenyl)methylideneamino]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 6885934
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-(4-fluorophenyl)methylideneamino]acetamide
CID 6868355
2-(4-chlorophenyl)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide
CID 93224601
2-(azepan-1-yl)-N-[(4-chlorophenyl)methylideneamino]acetamide
CID 786188
N-[(E)-(3,4-dichlorophenyl)methylideneamino]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 6865338
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(2-methylphenyl)methylideneamino]acetamide
CID 1383048
N-[(2-bromophenyl)methylideneamino]-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 1386479
N-[(E)-(2-bromophenyl)methylideneamino]-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 6865451
N-[(4-tert-butylphenyl)methylideneamino]-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 1390261
2-(4-benzylpiperazin-1-yl)-N-[(3-methylphenyl)methylideneamino]acetamide
CID 3714192
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]acetamide
CID 135877791
N,N'-bis[(3,4-dichlorophenyl)methylideneamino]hexanediamide
CID 4104627

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(3,4-dichlorophenyl)methylideneamino]acetamide?
The IUPAC name of 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(3,4-dichlorophenyl)methylideneamino]acetamide (CID 1383029) is 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(3,4-dichlorophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(3,4-dichlorophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(3,4-dichlorophenyl)methylideneamino]acetamide is O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)NN=Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(3,4-dichlorophenyl)methylideneamino]acetamide?
The InChIKey is UBXXMIUAJQBQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl3N4O/c21-17-4-1-15(2-5-17)13-26-7-9-27(10-8-26)14-20(28)25-24-12-16-3-6-18(22)19(23)11-16/h1-6,11-12H,7-10,13-14H2,(H,25,28).
What are the key properties of 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(3,4-dichlorophenyl)methylideneamino]acetamide?
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(3,4-dichlorophenyl)methylideneamino]acetamide has a molecular weight of 439.77 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(3,4-dichlorophenyl)methylideneamino]acetamide is sourced from PubChem (CID 1383029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).