N-(2,5-difluorophenyl)-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide

C14H17F2N3O2 — CID 108529715

IUPACN-(2,5-difluorophenyl)-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide
SMILESCCN1CCN(C(=O)C(=O)Nc2cc(F)ccc2F)CC1
InChIInChI=1S/C14H17F2N3O2/c1-2-18-5-7-19(8-6-18)14(21)13(20)17-12-9-10(15)3-4-11(12)16/h3-4,9H,2,5-8H2,1H3,(H,17,20)
InChIKeyQORLNMFLZAPAGT-UHFFFAOYSA-N
MW297.30 g/mol
LogP1.07
Rot. Bonds2

About N-(2,5-difluorophenyl)-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide

N-(2,5-difluorophenyl)-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide (PubChem CID 108529715) has the molecular formula C14H17F2N3O2 and a molecular weight of 297.30 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide
PubChem CID108529715
Molecular FormulaC14H17F2N3O2
Molecular Weight297.30 g/mol
Exact Mass297.13
IUPAC NameN-(2,5-difluorophenyl)-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide
SMILESCCN1CCN(C(=O)C(=O)Nc2cc(F)ccc2F)CC1
InChIInChI=1S/C14H17F2N3O2/c1-2-18-5-7-19(8-6-18)14(21)13(20)17-12-9-10(15)3-4-11(12)16/h3-4,9H,2,5-8H2,1H3,(H,17,20)
InChIKeyQORLNMFLZAPAGT-UHFFFAOYSA-N
XLogP1.07
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2,5-difluorophenyl)-2-(4-ethylpiperazin-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-(2,4-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide
CID 108502879
2-(4-benzhydrylpiperazin-1-yl)-N-(2,5-difluorophenyl)-2-oxoacetamide
CID 44902244
2-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]-2-oxoacetamide
CID 108529654
N-(2,4-difluorophenyl)-2-oxo-2-pyrrolidin-1-ylacetamide
CID 47109120
2-[[2-(4-ethylpiperazin-1-yl)-2-oxoacetyl]amino]benzamide
CID 108529326
2-(4-ethylpiperazin-1-yl)-2-oxo-N-[4-(trifluoromethyl)phenyl]acetamide
CID 87039943
2-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)-2-oxoacetamide
CID 44902185
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2,4-difluorophenyl)-2-oxoacetamide
CID 44892089
N-(2,4-difluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetamide
CID 44902220
N-(2,5-difluorophenyl)-4-methylpiperidine-1-carboxamide
CID 113223019
4-[(4-ethylpiperazine-1-carbonyl)amino]-3-fluorobenzoic acid
CID 63190369
(Z)-4-(2,5-difluoroanilino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 55169446

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide?
The IUPAC name of N-(2,5-difluorophenyl)-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide (CID 108529715) is N-(2,5-difluorophenyl)-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide?
The canonical SMILES for N-(2,5-difluorophenyl)-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide is CCN1CCN(C(=O)C(=O)Nc2cc(F)ccc2F)CC1.
What is the InChIKey of N-(2,5-difluorophenyl)-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide?
The InChIKey is QORLNMFLZAPAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O2/c1-2-18-5-7-19(8-6-18)14(21)13(20)17-12-9-10(15)3-4-11(12)16/h3-4,9H,2,5-8H2,1H3,(H,17,20).
What are the key properties of N-(2,5-difluorophenyl)-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide?
N-(2,5-difluorophenyl)-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide has a molecular weight of 297.30 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide is sourced from PubChem (CID 108529715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).