N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxoacetamide

C21H20ClF2N3O3 — CID 166205674

IUPACN-[1-(2-chloro-4-fluorophenyl)ethyl]-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxoacetamide
SMILESCC(NC(=O)C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccc(F)cc1Cl
InChIInChI=1S/C21H20ClF2N3O3/c1-13(17-7-6-16(24)12-18(17)22)25-19(28)21(30)27-10-8-26(9-11-27)20(29)14-2-4-15(23)5-3-14/h2-7,12-13H,8-11H2,1H3,(H,25,28)
InChIKeyUOINRPLSZWXLKE-UHFFFAOYSA-N
MW435.86 g/mol
LogP2.78
Rot. Bonds3

About N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxoacetamide

N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxoacetamide (PubChem CID 166205674) has the molecular formula C21H20ClF2N3O3 and a molecular weight of 435.86 g/mol. Its IUPAC name is N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-[1-(2-chloro-4-fluorophenyl)ethyl]-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxoacetamide
PubChem CID166205674
Molecular FormulaC21H20ClF2N3O3
Molecular Weight435.86 g/mol
Exact Mass435.12
IUPAC NameN-[1-(2-chloro-4-fluorophenyl)ethyl]-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxoacetamide
SMILESCC(NC(=O)C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccc(F)cc1Cl
InChIInChI=1S/C21H20ClF2N3O3/c1-13(17-7-6-16(24)12-18(17)22)25-19(28)21(30)27-10-8-26(9-11-27)20(29)14-2-4-15(23)5-3-14/h2-7,12-13H,8-11H2,1H3,(H,25,28)
InChIKeyUOINRPLSZWXLKE-UHFFFAOYSA-N
XLogP2.78
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.86
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxoacetamide 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-[1-(2-chloro-4-fluorophenyl)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111438888
[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 36505256
1-[1-(2-chloro-4-fluorophenyl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122002832
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-4-(4-methoxybenzoyl)piperazine-1-carboxamide
CID 112831893
[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 46413225
[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-(4-fluorophenyl)methanone
CID 19291067
2-(4-benzoylpiperazin-1-yl)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide
CID 9223420
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-[1-(2-methylphenyl)ethyl]propanamide
CID 86923486
4-[1-(2-chloro-4-fluorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673773
2-[4-(4-formamidobenzoyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 71871539
N-[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]-3-ethyl-4-oxoimidazolidine-1-carboxamide
CID 99859397
N-[(1R)-1-(2-chloro-4-fluorophenyl)ethyl]-3-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
CID 146130676

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxoacetamide?
The IUPAC name of N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxoacetamide (CID 166205674) is N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxoacetamide is CC(NC(=O)C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccc(F)cc1Cl.
What is the InChIKey of N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxoacetamide?
The InChIKey is UOINRPLSZWXLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClF2N3O3/c1-13(17-7-6-16(24)12-18(17)22)25-19(28)21(30)27-10-8-26(9-11-27)20(29)14-2-4-15(23)5-3-14/h2-7,12-13H,8-11H2,1H3,(H,25,28).
What are the key properties of N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxoacetamide?
N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxoacetamide has a molecular weight of 435.86 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 166205674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).