N-[(E)-(3,4-dichlorophenyl)methylideneamino]-2-(4-ethylpiperazin-1-yl)acetamide

C15H20Cl2N4O — CID 6894707

IUPACN-[(E)-(3,4-dichlorophenyl)methylideneamino]-2-(4-ethylpiperazin-1-yl)acetamide
SMILESCCN1CCN(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C15H20Cl2N4O/c1-2-20-5-7-21(8-6-20)11-15(22)19-18-10-12-3-4-13(16)14(17)9-12/h3-4,9-10H,2,5-8,11H2,1H3,(H,19,22)/b18-10+
InChIKeyGEPBBPDJWXADOT-VCHYOVAHSA-N
MW343.26 g/mol
LogP2.08
Rot. Bonds5

About N-[(E)-(3,4-dichlorophenyl)methylideneamino]-2-(4-ethylpiperazin-1-yl)acetamide

N-[(E)-(3,4-dichlorophenyl)methylideneamino]-2-(4-ethylpiperazin-1-yl)acetamide (PubChem CID 6894707) has the molecular formula C15H20Cl2N4O and a molecular weight of 343.26 g/mol. Its IUPAC name is N-[(E)-(3,4-dichlorophenyl)methylideneamino]-2-(4-ethylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-(3,4-dichlorophenyl)methylideneamino]-2-(4-ethylpiperazin-1-yl)acetamide
PubChem CID6894707
Molecular FormulaC15H20Cl2N4O
Molecular Weight343.26 g/mol
Exact Mass342.10
IUPAC NameN-[(E)-(3,4-dichlorophenyl)methylideneamino]-2-(4-ethylpiperazin-1-yl)acetamide
SMILESCCN1CCN(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C15H20Cl2N4O/c1-2-20-5-7-21(8-6-20)11-15(22)19-18-10-12-3-4-13(16)14(17)9-12/h3-4,9-10H,2,5-8,11H2,1H3,(H,19,22)/b18-10+
InChIKeyGEPBBPDJWXADOT-VCHYOVAHSA-N
XLogP2.08
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.26
LogP ≤ 52.08
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 N-[(E)-(3,4-dichlorophenyl)methylideneamino]-2-(4-ethylpiperazin-1-yl)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

2-(1-azepanyl)-N'-(3-chlorobenzylidene)acetohydrazide
CID 5331587
N'-(3-chlorobenzylidene)-2-(4-thiomorpholinyl)acetohydrazide
CID 9585532
N-(3,4-dichlorobenzylidene)-N-(4-methyl-1-piperazinyl)amine
CID 6877275
2-(1-azepanyl)-N'-(2,3-dichlorobenzylidene)acetohydrazide
CID 6894540
Piperidin-1-yl-acetic acid (4-chloro-benzylidene)-hydrazide
CID 9556842
Piperidin-1-yl-acetic acid (3-chloro-benzylidene)-hydrazide
CID 9592871
N'-(2,4-dichlorobenzylidene)-2-(1-piperidinyl)acetohydrazide
CID 9592878
2-(1-azepanyl)-N'-(3,4-dichlorobenzylidene)acetohydrazide
CID 5338350
N-[(E)-(3,4-dichlorophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 6899838
N'-(4-chlorobenzylidene)-2-(4-thiomorpholinyl)acetohydrazide
CID 5338349
1-Pyrrolidineacetic acid, ((4-chlorophenyl)methylene)hydrazide, monohydrochloride, hydrate
CID 9578628
Glycine, (3,4-dichlorobenzylidene)hydrazide, hydrochloride
CID 9589337

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,4-dichlorophenyl)methylideneamino]-2-(4-ethylpiperazin-1-yl)acetamide?
The IUPAC name of N-[(E)-(3,4-dichlorophenyl)methylideneamino]-2-(4-ethylpiperazin-1-yl)acetamide (CID 6894707) is N-[(E)-(3,4-dichlorophenyl)methylideneamino]-2-(4-ethylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[(E)-(3,4-dichlorophenyl)methylideneamino]-2-(4-ethylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[(E)-(3,4-dichlorophenyl)methylideneamino]-2-(4-ethylpiperazin-1-yl)acetamide is CCN1CCN(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of N-[(E)-(3,4-dichlorophenyl)methylideneamino]-2-(4-ethylpiperazin-1-yl)acetamide?
The InChIKey is GEPBBPDJWXADOT-VCHYOVAHSA-N. The full InChI is InChI=1S/C15H20Cl2N4O/c1-2-20-5-7-21(8-6-20)11-15(22)19-18-10-12-3-4-13(16)14(17)9-12/h3-4,9-10H,2,5-8,11H2,1H3,(H,19,22)/b18-10+.
What are the key properties of N-[(E)-(3,4-dichlorophenyl)methylideneamino]-2-(4-ethylpiperazin-1-yl)acetamide?
N-[(E)-(3,4-dichlorophenyl)methylideneamino]-2-(4-ethylpiperazin-1-yl)acetamide has a molecular weight of 343.26 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,4-dichlorophenyl)methylideneamino]-2-(4-ethylpiperazin-1-yl)acetamide is sourced from PubChem (CID 6894707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).