N-[2-(2-chloroanilino)-2-oxoethyl]-2-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-N-methylacetamide

C20H22Cl3N5O2 — CID 55828625

IUPACN-[2-(2-chloroanilino)-2-oxoethyl]-2-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-N-methylacetamide
SMILESCN(CC(=O)Nc1ccccc1Cl)C(=O)CN1CCN(c2ncc(Cl)cc2Cl)CC1
InChIInChI=1S/C20H22Cl3N5O2/c1-26(12-18(29)25-17-5-3-2-4-15(17)22)19(30)13-27-6-8-28(9-7-27)20-16(23)10-14(21)11-24-20/h2-5,10-11H,6-9,12-13H2,1H3,(H,25,29)
InChIKeyHXLCMHDTXRLBRR-UHFFFAOYSA-N
MW470.79 g/mol
LogP3.26
Rot. Bonds6

About N-[2-(2-chloroanilino)-2-oxoethyl]-2-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-N-methylacetamide

N-[2-(2-chloroanilino)-2-oxoethyl]-2-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-N-methylacetamide (PubChem CID 55828625) has the molecular formula C20H22Cl3N5O2 and a molecular weight of 470.79 g/mol. Its IUPAC name is N-[2-(2-chloroanilino)-2-oxoethyl]-2-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(2-chloroanilino)-2-oxoethyl]-2-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-N-methylacetamide
PubChem CID55828625
Molecular FormulaC20H22Cl3N5O2
Molecular Weight470.79 g/mol
Exact Mass469.08
IUPAC NameN-[2-(2-chloroanilino)-2-oxoethyl]-2-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-N-methylacetamide
SMILESCN(CC(=O)Nc1ccccc1Cl)C(=O)CN1CCN(c2ncc(Cl)cc2Cl)CC1
InChIInChI=1S/C20H22Cl3N5O2/c1-26(12-18(29)25-17-5-3-2-4-15(17)22)19(30)13-27-6-8-28(9-7-27)20-16(23)10-14(21)11-24-20/h2-5,10-11H,6-9,12-13H2,1H3,(H,25,29)
InChIKeyHXLCMHDTXRLBRR-UHFFFAOYSA-N
XLogP3.26
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.79
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(2-chloroanilino)-2-oxoethyl]-2-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-N-methylacetamide 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-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(4-phenylpiperazin-1-yl)acetamide
CID 17486565
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 38523304
2-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 60502631
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
CID 25408858
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide
CID 39011334
ethyl 1-[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]piperidine-4-carboxylate
CID 8931239
N-[2-(2-chloroanilino)-2-oxoethyl]-2-(2,6-dimethylmorpholin-4-yl)-N-methylacetamide
CID 51170480
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]acetamide
CID 27098428
N-[2-(2-chloroanilino)-2-oxoethyl]-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-methylacetamide
CID 4787114
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-piperidin-1-ylacetamide
CID 8894535
N-(2-chlorophenyl)-2-[4-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]piperazin-1-yl]acetamide
CID 29161558
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-2-(4-phenylpiperazin-1-yl)acetamide
CID 17493433

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroanilino)-2-oxoethyl]-2-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-N-methylacetamide?
The IUPAC name of N-[2-(2-chloroanilino)-2-oxoethyl]-2-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-N-methylacetamide (CID 55828625) is N-[2-(2-chloroanilino)-2-oxoethyl]-2-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-N-methylacetamide.
What is the SMILES notation for N-[2-(2-chloroanilino)-2-oxoethyl]-2-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-N-methylacetamide?
The canonical SMILES for N-[2-(2-chloroanilino)-2-oxoethyl]-2-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-N-methylacetamide is CN(CC(=O)Nc1ccccc1Cl)C(=O)CN1CCN(c2ncc(Cl)cc2Cl)CC1.
What is the InChIKey of N-[2-(2-chloroanilino)-2-oxoethyl]-2-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-N-methylacetamide?
The InChIKey is HXLCMHDTXRLBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl3N5O2/c1-26(12-18(29)25-17-5-3-2-4-15(17)22)19(30)13-27-6-8-28(9-7-27)20-16(23)10-14(21)11-24-20/h2-5,10-11H,6-9,12-13H2,1H3,(H,25,29).
What are the key properties of N-[2-(2-chloroanilino)-2-oxoethyl]-2-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-N-methylacetamide?
N-[2-(2-chloroanilino)-2-oxoethyl]-2-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-N-methylacetamide has a molecular weight of 470.79 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroanilino)-2-oxoethyl]-2-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-N-methylacetamide is sourced from PubChem (CID 55828625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).