N-(2,4-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide

C14H17Cl2N3O2 — CID 108502879

IUPACN-(2,4-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide
SMILESCCN1CCN(C(=O)C(=O)Nc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C14H17Cl2N3O2/c1-2-18-5-7-19(8-6-18)14(21)13(20)17-12-4-3-10(15)9-11(12)16/h3-4,9H,2,5-8H2,1H3,(H,17,20)
InChIKeyRMDVDPNMODOQCH-UHFFFAOYSA-N
MW330.22 g/mol
LogP2.10
Rot. Bonds2

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

N-(2,4-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide (PubChem CID 108502879) has the molecular formula C14H17Cl2N3O2 and a molecular weight of 330.22 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide
PubChem CID108502879
Molecular FormulaC14H17Cl2N3O2
Molecular Weight330.22 g/mol
Exact Mass329.07
IUPAC NameN-(2,4-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide
SMILESCCN1CCN(C(=O)C(=O)Nc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C14H17Cl2N3O2/c1-2-18-5-7-19(8-6-18)14(21)13(20)17-12-4-3-10(15)9-11(12)16/h3-4,9H,2,5-8H2,1H3,(H,17,20)
InChIKeyRMDVDPNMODOQCH-UHFFFAOYSA-N
XLogP2.10
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[2-(2,4-dichloroanilino)-2-oxoacetyl]piperazine-1-carboxylate
CID 108502954
N-(2,4-dichlorophenyl)-2-oxo-2-piperidin-1-ylacetamide
CID 2194372
N-(2,5-difluorophenyl)-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide
CID 108529715
methyl 4-[2-(2,4-dichloroanilino)-2-oxoethyl]piperazine-1-carboxylate
CID 78900235
N-(2,5-dichlorophenyl)-4-ethyl-1,4-diazepane-1-carboxamide
CID 47090156
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide
CID 108520240
2-[[2-(4-ethylpiperazin-1-yl)-2-oxoacetyl]amino]benzamide
CID 108529326
N-(2,5-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 6465282
N-(2,4-dichlorophenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113105994
N'-butan-2-yl-N-(2,4-dichlorophenyl)oxamide
CID 108502714
2-(4-benzylpiperazin-1-yl)-N-(2-chlorophenyl)-2-oxoacetamide
CID 44892193
N-(5-chloro-2-methoxyphenyl)-2-oxo-2-piperazin-1-ylacetamide
CID 28507464

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide?
The IUPAC name of N-(2,4-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide (CID 108502879) is N-(2,4-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide is CCN1CCN(C(=O)C(=O)Nc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of N-(2,4-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide?
The InChIKey is RMDVDPNMODOQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3O2/c1-2-18-5-7-19(8-6-18)14(21)13(20)17-12-4-3-10(15)9-11(12)16/h3-4,9H,2,5-8H2,1H3,(H,17,20).
What are the key properties of N-(2,4-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide?
N-(2,4-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide has a molecular weight of 330.22 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide is sourced from PubChem (CID 108502879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).