N-(2,4-dichlorophenyl)-4-(4-ethoxyphenyl)piperazine-1-carboxamide

C19H21Cl2N3O2 — CID 113113752

IUPACN-(2,4-dichlorophenyl)-4-(4-ethoxyphenyl)piperazine-1-carboxamide
SMILESCCOc1ccc(N2CCN(C(=O)Nc3ccc(Cl)cc3Cl)CC2)cc1
InChIInChI=1S/C19H21Cl2N3O2/c1-2-26-16-6-4-15(5-7-16)23-9-11-24(12-10-23)19(25)22-18-8-3-14(20)13-17(18)21/h3-8,13H,2,9-12H2,1H3,(H,22,25)
InChIKeyMJZBDHYAQAEJCA-UHFFFAOYSA-N
MW394.30 g/mol
LogP4.75
Rot. Bonds4

About N-(2,4-dichlorophenyl)-4-(4-ethoxyphenyl)piperazine-1-carboxamide

N-(2,4-dichlorophenyl)-4-(4-ethoxyphenyl)piperazine-1-carboxamide (PubChem CID 113113752) has the molecular formula C19H21Cl2N3O2 and a molecular weight of 394.30 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-4-(4-ethoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-4-(4-ethoxyphenyl)piperazine-1-carboxamide
PubChem CID113113752
Molecular FormulaC19H21Cl2N3O2
Molecular Weight394.30 g/mol
Exact Mass393.10
IUPAC NameN-(2,4-dichlorophenyl)-4-(4-ethoxyphenyl)piperazine-1-carboxamide
SMILESCCOc1ccc(N2CCN(C(=O)Nc3ccc(Cl)cc3Cl)CC2)cc1
InChIInChI=1S/C19H21Cl2N3O2/c1-2-26-16-6-4-15(5-7-16)23-9-11-24(12-10-23)19(25)22-18-8-3-14(20)13-17(18)21/h3-8,13H,2,9-12H2,1H3,(H,22,25)
InChIKeyMJZBDHYAQAEJCA-UHFFFAOYSA-N
XLogP4.75
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.30
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze N-(2,4-dichlorophenyl)-4-(4-ethoxyphenyl)piperazine-1-carboxamide 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-(2,4-dichlorophenyl)-4-[4-(dimethylamino)phenyl]piperazine-1-carboxamide
CID 113114419
N-(3-acetamidophenyl)-4-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 113113737
4-(4-ethoxyphenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113112384
N-(2-cyanophenyl)-4-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 113113758
4-(2-chlorophenyl)-N-(2,4-dichlorophenyl)piperazine-1-carboxamide
CID 113112852
N-(2,4-dichlorophenyl)-3-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]azetidine-1-carboxamide
CID 23140162
N-(4-ethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86986398
N-(4-chloro-2-methylphenyl)-4-(4-cyanophenyl)piperazine-1-carboxamide
CID 113113234
N-butyl-4-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 113103898
N-(2,4-dichlorophenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113105994
2-[4-(4-ethoxyphenyl)piperazin-1-yl]-2-oxoacetic acid
CID 94287158
N-(4-chloro-2-methylphenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 113113207

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-4-(4-ethoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-4-(4-ethoxyphenyl)piperazine-1-carboxamide (CID 113113752) is N-(2,4-dichlorophenyl)-4-(4-ethoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-4-(4-ethoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-4-(4-ethoxyphenyl)piperazine-1-carboxamide is CCOc1ccc(N2CCN(C(=O)Nc3ccc(Cl)cc3Cl)CC2)cc1.
What is the InChIKey of N-(2,4-dichlorophenyl)-4-(4-ethoxyphenyl)piperazine-1-carboxamide?
The InChIKey is MJZBDHYAQAEJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O2/c1-2-26-16-6-4-15(5-7-16)23-9-11-24(12-10-23)19(25)22-18-8-3-14(20)13-17(18)21/h3-8,13H,2,9-12H2,1H3,(H,22,25).
What are the key properties of N-(2,4-dichlorophenyl)-4-(4-ethoxyphenyl)piperazine-1-carboxamide?
N-(2,4-dichlorophenyl)-4-(4-ethoxyphenyl)piperazine-1-carboxamide has a molecular weight of 394.30 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-4-(4-ethoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113113752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).